ZINC 12

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.80	10.89	-33.55	1	2	1	17	301.841	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.80	11.17	-100.52	2	2	2	19	302.849	3	↓ MOL2 SDF SMILES Flexibase

580

Analogs

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Popular Name: triptyline triptyline

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.51	1.29	-11.55	0	3	0	29	295.382	3	↓ MOL2 SDF SMILES Flexibase

34560375

Analogs

1615612
1615613
1615614

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.25	10.92	-7.16	0	3	0	36	310.393	5	↓ MOL2 SDF SMILES Flexibase

34560376

Analogs

1615612
1615613
1615614

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.25	10.92	-7.15	0	3	0	36	310.393	5	↓ MOL2 SDF SMILES Flexibase

34560377

Analogs

1615612
1615613
1615614

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.56	9.9	-48.91	0	3	-1	49	281.331	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.56	7.92	-8	1	3	0	47	282.339	3	↓ MOL2 SDF SMILES Flexibase

34560378

Analogs

1615612
1615613
1615614

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.56	9.9	-48.86	0	3	-1	49	281.331	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.56	7.92	-8.01	1	3	0	47	282.339	3	↓ MOL2 SDF SMILES Flexibase

34560379

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Popular Name: methoxyBLAHone methoxyBLAHone

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.45	9.07	-8.75	0	2	0	26	264.324	1	↓ MOL2 SDF SMILES Flexibase

34560380

Analogs

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Popular Name: methoxyBLAHone methoxyBLAHone

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.45	9.07	-8.73	0	2	0	26	264.324	1	↓ MOL2 SDF SMILES Flexibase

34560381

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.41	9.64	-9.96	0	4	0	53	322.36	3	↓ MOL2 SDF SMILES Flexibase

34560382

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.41	9.59	-12.84	0	4	0	53	322.36	3	↓ MOL2 SDF SMILES Flexibase

34560383

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.41	9.59	-12.84	0	4	0	53	322.36	3	↓ MOL2 SDF SMILES Flexibase

34560384

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.41	9.64	-9.97	0	4	0	53	322.36	3	↓ MOL2 SDF SMILES Flexibase

34560385

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.08	7.53	-11.15	1	4	0	56	324.376	3	↓ MOL2 SDF SMILES Flexibase

34560386

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.08	8.16	-11.36	1	4	0	56	324.376	3	↓ MOL2 SDF SMILES Flexibase

34560387

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.08	7.21	-9.29	1	4	0	56	324.376	3	↓ MOL2 SDF SMILES Flexibase

34560388

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.08	7.24	-9.06	1	4	0	56	324.376	3	↓ MOL2 SDF SMILES Flexibase

11819938

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.18	1.7	-16.61	0	4	0	38	373.5	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.18	1.91	-30.48	1	4	1	39	374.508	5	↓ MOL2 SDF SMILES Flexibase

11838521

Analogs

11838523

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.27	-0.43	-9.2	1	4	0	55	357.457	4	↓ MOL2 SDF SMILES Flexibase

11838523

Analogs

11838521

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.27	-0.44	-9.24	1	4	0	55	357.457	4	↓ MOL2 SDF SMILES Flexibase

11996735

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.64	-2.98	-10.2	2	3	0	49	309.409	5	↓ MOL2 SDF SMILES Flexibase

11997496

Analogs

11997498

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.42	0.28	-11.21	1	4	0	49	390.527	5	↓ MOL2 SDF SMILES Flexibase

11997498

Analogs

11997496

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.42	0.4	-12.39	1	4	0	49	390.527	5	↓ MOL2 SDF SMILES Flexibase

36144041

Analogs

26273211

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
BKRB2-1-E	Bradykinin B2 Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	299	0.23	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
BKRB2_HUMAN	P30411	Bradykinin B2 Receptor, Human	299	0.23	Binding ≤ 1μM
BKRB2_RAT	P25023	Bradykinin B2 Receptor, Rat	654	0.22	Binding ≤ 1μM
BKRB2_HUMAN	P30411	Bradykinin B2 Receptor, Human	299	0.23	Binding ≤ 10μM
BKRB2_RAT	P25023	Bradykinin B2 Receptor, Rat	654	0.22	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.12	11.35	-26.08	5	11	0	162	580.692	9	↓ MOL2 SDF SMILES Flexibase

36151760

Analogs

36151765

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Popular Name: BS 7840 BS 7840

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CP2D6-1-E	Cytochrome P450 2D6 (cluster #1 Of 3), Eukaryotic	Eukaryotes	60	0.40	ADME/T ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
CP2D6_HUMAN	P10635	Cytochrome P450 2D6, Human	60	0.40	ADME/T ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.89	11.1	-36.5	2	2	1	25	332.467	3	↓ MOL2 SDF SMILES Flexibase

36151765

Analogs

36151760

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Popular Name: BS 7840 BS 7840

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CP2D6-1-E	Cytochrome P450 2D6 (cluster #1 Of 3), Eukaryotic	Eukaryotes	60	0.40	ADME/T ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
CP2D6_HUMAN	P10635	Cytochrome P450 2D6, Human	60	0.40	ADME/T ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.89	11.02	-39	2	2	1	25	332.467	3	↓ MOL2 SDF SMILES Flexibase

36151807

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CP2D6-1-E	Cytochrome P450 2D6 (cluster #1 Of 3), Eukaryotic	Eukaryotes	5800	0.24	ADME/T ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
CP2D6_HUMAN	P10635	Cytochrome P450 2D6, Human	5800	0.24	ADME/T ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	8.96	20.55	-4.36	0	1	0	5	413.649	11	↓ MOL2 SDF SMILES Flexibase

36330374

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	1400	0.22	Binding ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	1400	0.22	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	1400	0.22	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	1400	0.22	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.02	11.16	-12.71	2	7	0	83	600.989	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.02	11.81	-51.34	3	7	1	84	601.997	2	↓ MOL2 SDF SMILES Flexibase

36330375

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	1400	0.22	Binding ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	1400	0.22	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	1400	0.22	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	1400	0.22	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.02	11.2	-12.92	2	7	0	83	600.989	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.02	12.65	-49.83	3	7	1	84	601.997	2	↓ MOL2 SDF SMILES Flexibase

36330376

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	1400	0.22	Binding ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	1400	0.22	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	1400	0.22	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	1400	0.22	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.02	11.39	-14.3	2	7	0	83	600.989	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.02	12.8	-50.3	3	7	1	84	601.997	2	↓ MOL2 SDF SMILES Flexibase

36330377

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	70	0.26	Binding ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	70	0.26	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	70	0.26	Binding ≤ 1μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	70	0.26	Binding ≤ 1μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	70	0.26	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	70	0.26	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.15	12.32	-13.18	1	7	0	78	608.968	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.15	12.95	-40.78	2	7	1	80	609.976	6	↓ MOL2 SDF SMILES Flexibase

36330378

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	70	0.26	Binding ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	70	0.26	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	70	0.26	Binding ≤ 1μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	70	0.26	Binding ≤ 1μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	70	0.26	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	70	0.26	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.15	12.35	-13.34	1	7	0	78	608.968	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.15	13.8	-43.5	2	7	1	80	609.976	6	↓ MOL2 SDF SMILES Flexibase

36330379

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	50	0.26	Binding ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	50	0.26	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	50	0.26	Binding ≤ 1μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	50	0.26	Binding ≤ 1μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	50	0.26	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	50	0.26	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.16	13.53	-18.65	1	7	0	78	608.968	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.16	14.17	-55.13	2	7	1	80	609.976	6	↓ MOL2 SDF SMILES Flexibase

36330380

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	50	0.26	Binding ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	50	0.26	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	50	0.26	Binding ≤ 1μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	50	0.26	Binding ≤ 1μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	50	0.26	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	50	0.26	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.16	13.55	-18.87	1	7	0	78	608.968	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.16	15.01	-58.08	2	7	1	80	609.976	6	↓ MOL2 SDF SMILES Flexibase

36330381

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	9	0.28	Binding ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	9	0.28	Binding ≤ 10μM
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	45	0.26	Functional ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	45	0.26	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	9.1	0.28	Binding ≤ 1μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	9.1	0.28	Binding ≤ 1μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	9.1	0.28	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	9.1	0.28	Binding ≤ 10μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	45	0.26	Functional ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	45	0.26	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.26	12.47	-16.46	2	8	0	90	625.999	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.26	14.17	-53.37	3	8	1	92	627.007	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.26	14.64	-98.4	4	8	2	93	628.015	7	↓ MOL2 SDF SMILES Flexibase

36330382

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	11	0.28	Binding ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	11	0.28	Binding ≤ 10μM
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	47	0.26	Functional ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	47	0.26	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	11	0.28	Binding ≤ 1μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	11	0.28	Binding ≤ 1μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	11	0.28	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	11	0.28	Binding ≤ 10μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	47	0.26	Functional ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	47	0.26	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.02	12.67	-15.29	1	8	0	96	624.967	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.02	14.37	-51.34	2	8	1	97	625.975	7	↓ MOL2 SDF SMILES Flexibase

36330383

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	21	0.28	Binding ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	21	0.28	Binding ≤ 10μM
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	160	0.24	Functional ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	160	0.24	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	21	0.28	Binding ≤ 1μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	21	0.28	Binding ≤ 1μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	21	0.28	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	21	0.28	Binding ≤ 10μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	160	0.24	Functional ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	160	0.24	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.30	11.88	-19.01	1	8	0	88	612.956	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.30	13.59	-57.53	2	8	1	89	613.964	7	↓ MOL2 SDF SMILES Flexibase

36330384

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	17	0.27	Binding ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	17	0.27	Binding ≤ 10μM
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	65	0.25	Functional ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	65	0.25	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	17	0.27	Binding ≤ 1μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	17	0.27	Binding ≤ 1μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	17	0.27	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	17	0.27	Binding ≤ 10μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	65	0.25	Functional ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	65	0.25	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.72	13.77	-16.61	1	7	0	78	622.995	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.72	15.51	-55	2	7	1	80	624.003	5	↓ MOL2 SDF SMILES Flexibase

36330385

Analogs

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Popular Name: tert-butyl tert-butyl

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	22	0.27	Binding ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	22	0.27	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	22	0.27	Binding ≤ 1μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	22	0.27	Binding ≤ 1μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	22	0.27	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	22	0.27	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.65	12.38	-13.18	1	8	0	88	626.983	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.65	14.11	-49.12	2	8	1	89	627.991	6	↓ MOL2 SDF SMILES Flexibase

36330386

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	1800	0.20	Binding ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	1800	0.20	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	1800	0.20	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	1800	0.20	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.63	13.95	-27.31	1	8	0	91	626.983	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.63	15.64	-66.8	2	8	1	92	627.991	7	↓ MOL2 SDF SMILES Flexibase

36330387

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	190	0.25	Binding ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	190	0.25	Binding ≤ 10μM
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	570	0.23	Functional ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	570	0.23	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	190	0.25	Binding ≤ 1μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	190	0.25	Binding ≤ 1μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	190	0.25	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	190	0.25	Binding ≤ 10μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	570	0.23	Functional ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	570	0.23	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.83	12.97	-19.47	1	8	0	91	597.945	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.83	14.67	-59.34	2	8	1	93	598.953	6	↓ MOL2 SDF SMILES Flexibase

36330388

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	560	0.23	Binding ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	560	0.23	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	560	0.23	Binding ≤ 1μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	560	0.23	Binding ≤ 1μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	560	0.23	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	560	0.23	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.24	12.97	-23.83	1	8	0	92	600.945	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.24	14.67	-65.61	2	8	1	93	601.953	6	↓ MOL2 SDF SMILES Flexibase

36330389

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	7	0.29	Binding ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	7	0.29	Binding ≤ 10μM
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	50	0.26	Functional ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	50	0.26	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	7.3	0.29	Binding ≤ 1μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	7.3	0.29	Binding ≤ 1μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	7.3	0.29	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	7.3	0.29	Binding ≤ 10μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	50	0.26	Functional ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	50	0.26	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.59	13.25	-14.66	1	7	0	78	610.984	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.59	14.95	-52.56	2	7	1	80	611.992	6	↓ MOL2 SDF SMILES Flexibase

36330390

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	19	0.28	Binding ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	19	0.28	Binding ≤ 10μM
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	59	0.26	Functional ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	59	0.26	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	19	0.28	Binding ≤ 1μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	19	0.28	Binding ≤ 1μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	19	0.28	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	19	0.28	Binding ≤ 10μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	59	0.26	Functional ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	59	0.26	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.70	11.69	-16.66	2	8	0	90	611.972	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.70	13.4	-53.46	3	8	1	92	612.98	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.70	13.88	-98.33	4	8	2	93	613.988	6	↓ MOL2 SDF SMILES Flexibase

36330391

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	8	0.28	Binding ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	8	0.28	Binding ≤ 10μM
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	52	0.25	Functional ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	52	0.25	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	8	0.28	Binding ≤ 1μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	8	0.28	Binding ≤ 1μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	8	0.28	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	8	0.28	Binding ≤ 10μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	52	0.25	Functional ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	52	0.25	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.94	12.46	-16.41	2	8	0	90	625.999	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.94	14.17	-53.43	3	8	1	92	627.007	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.94	14.63	-98.42	4	8	2	93	628.015	6	↓ MOL2 SDF SMILES Flexibase

36330392

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	15	0.27	Binding ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	15	0.27	Binding ≤ 10μM
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	54	0.25	Functional ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	54	0.25	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	15	0.27	Binding ≤ 1μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	15	0.27	Binding ≤ 1μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	15	0.27	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	15	0.27	Binding ≤ 10μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	54	0.25	Functional ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	54	0.25	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.00	11.94	-15.33	2	8	0	90	625.999	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.00	13.65	-51.43	3	8	1	92	627.007	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.00	14.11	-96.26	4	8	2	93	628.015	5	↓ MOL2 SDF SMILES Flexibase

36330393

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	20	0.28	Binding ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	20	0.28	Binding ≤ 10μM
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	100	0.25	Functional ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	100	0.25	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	20	0.28	Binding ≤ 1μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	20	0.28	Binding ≤ 1μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	20	0.28	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	20	0.28	Binding ≤ 10μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	100	0.25	Functional ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	100	0.25	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.19	11.06	-15.2	1	8	0	88	612.956	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.19	12.76	-53.36	2	8	1	89	613.964	7	↓ MOL2 SDF SMILES Flexibase

36330394

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	8	0.28	Binding ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	8	0.28	Binding ≤ 10μM
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	75	0.25	Functional ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	75	0.25	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	8	0.28	Binding ≤ 1μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	8	0.28	Binding ≤ 1μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	8	0.28	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	8	0.28	Binding ≤ 10μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	75	0.25	Functional ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	75	0.25	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.38	14.32	-15.54	1	7	0	78	625.011	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.38	16.02	-53.43	2	7	1	80	626.019	8	↓ MOL2 SDF SMILES Flexibase

36330395

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	18	0.29	Binding ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	18	0.29	Binding ≤ 10μM
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	100	0.26	Functional ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	100	0.26	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	18	0.29	Binding ≤ 1μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	18	0.29	Binding ≤ 1μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	18	0.29	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	18	0.29	Binding ≤ 10μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	100	0.26	Functional ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	100	0.26	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.34	13.31	-15.31	1	7	0	78	596.957	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.34	15.01	-55.74	2	7	1	80	597.965	6	↓ MOL2 SDF SMILES Flexibase

36330396

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	12	0.28	Binding ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	12	0.28	Binding ≤ 10μM
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	60	0.26	Functional ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	60	0.26	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	12	0.28	Binding ≤ 1μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	12	0.28	Binding ≤ 1μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	12	0.28	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	12	0.28	Binding ≤ 10μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	60	0.26	Functional ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	60	0.26	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.75	14.1	-44.79	3	8	1	95	614.996	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.75	13.65	-22.57	2	8	0	94	613.988	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.75	15.8	-95.48	4	8	2	97	616.004	8	↓ MOL2 SDF SMILES Flexibase

36330397

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	6	0.30	Binding ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	6	0.30	Binding ≤ 10μM
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	64	0.26	Functional ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	64	0.26	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	5.7	0.30	Binding ≤ 1μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	5.7	0.30	Binding ≤ 1μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	5.7	0.30	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	5.7	0.30	Binding ≤ 10μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	64	0.26	Functional ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	64	0.26	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.88	13.54	-15.7	1	7	0	78	610.984	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.88	15.24	-53.51	2	7	1	80	611.992	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 146
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 146 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=146&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "146"        

    });
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