ZINC 12

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Quick Search ZINC ID or SMILES

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Query Details

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Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

37075300

Analogs

10436221
355898

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(R)-cyclopropyl(phenyl)methyl]-1-(2-furyl)ethanamine (1S)-N-[(R)-cyclopropyl(phenyl)m…

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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)	3.77	8.85	-35.17	2	2	1	30	242.342	5	↓ MOL2 SDF SMILES Flexibase

37075301

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(R)-cyclopropyl(phenyl)methyl]-1-(2-furyl)ethanamine (1R)-N-[(R)-cyclopropyl(phenyl)m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.77	8.73	-34.75	2	2	1	30	242.342	5	↓ MOL2 SDF SMILES Flexibase

37075302

Analogs

10436221
355898

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(S)-cyclopropyl(phenyl)methyl]-1-(2-furyl)ethanamine (1S)-N-[(S)-cyclopropyl(phenyl)m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.77	8.94	-34.39	2	2	1	30	242.342	5	↓ MOL2 SDF SMILES Flexibase

37075303

Analogs

10436221
355898

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(S)-cyclopropyl(phenyl)methyl]-1-(2-furyl)ethanamine (1R)-N-[(S)-cyclopropyl(phenyl)m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.77	8.99	-35.05	2	2	1	30	242.342	5	↓ MOL2 SDF SMILES Flexibase

37075335

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(R)-cyclopropyl(phenyl)methyl]-1-(5-methyl-2-furyl)ethanamine (1R)-N-[(R)-cyclopropyl(phenyl)m…

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Activity (Go SEA)

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)	3.99	9.55	-34.46	2	2	1	30	256.369	5	↓ MOL2 SDF SMILES Flexibase

37075336

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(R)-cyclopropyl(phenyl)methyl]-1-(5-methyl-2-furyl)ethanamine (1S)-N-[(R)-cyclopropyl(phenyl)m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.99	9.66	-34.87	2	2	1	30	256.369	5	↓ MOL2 SDF SMILES Flexibase

37075337

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(S)-cyclopropyl(phenyl)methyl]-1-(5-methyl-2-furyl)ethanamine (1R)-N-[(S)-cyclopropyl(phenyl)m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.99	9.81	-34.82	2	2	1	30	256.369	5	↓ MOL2 SDF SMILES Flexibase

37075338

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(S)-cyclopropyl(phenyl)methyl]-1-(5-methyl-2-furyl)ethanamine (1S)-N-[(S)-cyclopropyl(phenyl)m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.99	9.77	-34.07	2	2	1	30	256.369	5	↓ MOL2 SDF SMILES Flexibase

37184237

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-N-(2-furylmethyl)-1-(p-tolyl)methanamine (1R)-1-cyclopropyl-N-(2-furylmet…

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Activity (Go SEA)

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)	3.65	8.93	-38.62	2	2	1	30	242.342	5	↓ MOL2 SDF SMILES Flexibase

37184238

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-N-(2-furylmethyl)-1-(p-tolyl)methanamine (1S)-1-cyclopropyl-N-(2-furylmet…

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Activity (Go SEA)

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)	3.65	9.16	-37.96	2	2	1	30	242.342	5	↓ MOL2 SDF SMILES Flexibase

37184301

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-1-(4-fluorophenyl)-N-(2-furylmethyl)methanamine (1R)-1-cyclopropyl-1-(4-fluoroph…

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Activity (Go SEA)

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)	3.37	8.3	-43.93	2	2	1	30	246.305	5	↓ MOL2 SDF SMILES Flexibase

37184302

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-1-(4-fluorophenyl)-N-(2-furylmethyl)methanamine (1S)-1-cyclopropyl-1-(4-fluoroph…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.37	8.55	-43.34	2	2	1	30	246.305	5	↓ MOL2 SDF SMILES Flexibase

37280587

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(R)-cyclopropyl(p-tolyl)methyl]-1-(5-methyl-2-furyl)ethanamine (1S)-N-[(R)-cyclopropyl(p-tolyl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.43	10.35	-34.98	2	2	1	30	270.396	5	↓ MOL2 SDF SMILES Flexibase

37280589

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(S)-cyclopropyl(p-tolyl)methyl]-1-(5-methyl-2-furyl)ethanamine (1S)-N-[(S)-cyclopropyl(p-tolyl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.43	10.44	-34.16	2	2	1	30	270.396	5	↓ MOL2 SDF SMILES Flexibase

37280591

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(R)-cyclopropyl(p-tolyl)methyl]-1-(5-methyl-2-furyl)ethanamine (1R)-N-[(R)-cyclopropyl(p-tolyl)…

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Activity (Go SEA)

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)	4.43	10.23	-34.49	2	2	1	30	270.396	5	↓ MOL2 SDF SMILES Flexibase

37280593

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(S)-cyclopropyl(p-tolyl)methyl]-1-(5-methyl-2-furyl)ethanamine (1R)-N-[(S)-cyclopropyl(p-tolyl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.43	10.31	-34.95	2	2	1	30	270.396	5	↓ MOL2 SDF SMILES Flexibase

37280661

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-1-(5-methyl-2-furyl)ethanamine (1R)-N-[(R)-cyclopropyl-(4-metho…

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Activity (Go SEA)

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)	4.04	8.84	-37.31	2	3	1	39	286.395	6	↓ MOL2 SDF SMILES Flexibase

37280663

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-1-(5-methyl-2-furyl)ethanamine (1S)-N-[(R)-cyclopropyl-(4-metho…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.04	8.96	-37.33	2	3	1	39	286.395	6	↓ MOL2 SDF SMILES Flexibase

37280666

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-1-(5-methyl-2-furyl)ethanamine (1R)-N-[(S)-cyclopropyl-(4-metho…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.04	8.95	-37.3	2	3	1	39	286.395	6	↓ MOL2 SDF SMILES Flexibase

37280668

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-1-(5-methyl-2-furyl)ethanamine (1S)-N-[(S)-cyclopropyl-(4-metho…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.04	9.06	-36.91	2	3	1	39	286.395	6	↓ MOL2 SDF SMILES Flexibase

37280670

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(R)-(4-chlorophenyl)-cyclopropyl-methyl]-1-(5-methyl-2-furyl)ethanamine (1R)-N-[(R)-(4-chlorophenyl)-cyc…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.66	10.07	-38.65	2	2	1	30	290.814	5	↓ MOL2 SDF SMILES Flexibase

37280671

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(R)-(4-chlorophenyl)-cyclopropyl-methyl]-1-(5-methyl-2-furyl)ethanamine (1S)-N-[(R)-(4-chlorophenyl)-cyc…

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Activity (Go SEA)

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)	4.66	10.18	-38.65	2	2	1	30	290.814	5	↓ MOL2 SDF SMILES Flexibase

37280673

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(S)-(4-chlorophenyl)-cyclopropyl-methyl]-1-(5-methyl-2-furyl)ethanamine (1R)-N-[(S)-(4-chlorophenyl)-cyc…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.66	10.33	-38.57	2	2	1	30	290.814	5	↓ MOL2 SDF SMILES Flexibase

37280675

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(S)-(4-chlorophenyl)-cyclopropyl-methyl]-1-(5-methyl-2-furyl)ethanamine (1S)-N-[(S)-(4-chlorophenyl)-cyc…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.66	10.29	-38.25	2	2	1	30	290.814	5	↓ MOL2 SDF SMILES Flexibase

37280832

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-1-(5-methyl-2-furyl)ethanamine (1R)-N-[(R)-cyclopropyl-(4-fluor…

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Activity (Go SEA)

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)	4.15	9.61	-39.58	2	2	1	30	274.359	5	↓ MOL2 SDF SMILES Flexibase

37280834

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-1-(5-methyl-2-furyl)ethanamine (1S)-N-[(R)-cyclopropyl-(4-fluor…

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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)	4.15	9.73	-39.52	2	2	1	30	274.359	5	↓ MOL2 SDF SMILES Flexibase

37280836

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-1-(5-methyl-2-furyl)ethanamine (1R)-N-[(S)-cyclopropyl-(4-fluor…

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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)	4.15	9.88	-39.54	2	2	1	30	274.359	5	↓ MOL2 SDF SMILES Flexibase

37280838

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-1-(5-methyl-2-furyl)ethanamine (1S)-N-[(S)-cyclopropyl-(4-fluor…

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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)	4.15	9.82	-39.27	2	2	1	30	274.359	5	↓ MOL2 SDF SMILES Flexibase

37303767

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-N-[(5-nitro-2-furyl)methyl]-1-phenyl-methanamine (1R)-1-cyclopropyl-N-[(5-nitro-2…

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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)	3.29	8.96	-54.06	2	5	1	76	273.312	6	↓ MOL2 SDF SMILES Flexibase

37303769

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-N-[(5-nitro-2-furyl)methyl]-1-phenyl-methanamine (1S)-1-cyclopropyl-N-[(5-nitro-2…

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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)	3.29	9.2	-53.05	2	5	1	76	273.312	6	↓ MOL2 SDF SMILES Flexibase

37303779

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-N-[(5-iodo-2-furyl)methyl]-1-phenyl-methanamine (1R)-1-cyclopropyl-N-[(5-iodo-2-…

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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)	4.41	9.46	-41.53	2	2	1	30	354.211	5	↓ MOL2 SDF SMILES Flexibase

37303781

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-N-[(5-iodo-2-furyl)methyl]-1-phenyl-methanamine (1S)-1-cyclopropyl-N-[(5-iodo-2-…

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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)	4.41	9.69	-40.88	2	2	1	30	354.211	5	↓ MOL2 SDF SMILES Flexibase

37303902

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-N-[[5-(methylsulfanylmethyl)-2-furyl]methyl]-1-phenyl-methanamine (1R)-1-cyclopropyl-N-[[5-(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)	3.94	10.29	-40.98	2	2	1	30	288.436	7	↓ MOL2 SDF SMILES Flexibase

37303904

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-N-[[5-(methylsulfanylmethyl)-2-furyl]methyl]-1-phenyl-methanamine (1S)-1-cyclopropyl-N-[[5-(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)	3.94	10.54	-40.38	2	2	1	30	288.436	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 135590
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 = 135590 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=135590&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": "135590"        

    });
</script>

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