ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

19435504

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-amino-N-cyclopentyl-cyclohexane-1-carboxamide 1-amino-N-cyclopentyl-cyclohexan…

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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)	2.21	3.13	-56.57	4	3	1	57	211.329	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.21	2.86	-7.2	3	3	0	55	210.321	2	↓ MOL2 SDF SMILES Flexibase

54667979

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-tert-butyl-N-(1-carbamothioylcyclopentyl)cyclohexanecarboxamide 4-tert-butyl-N-(1-carbamothioylc…

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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)	3.19	6.55	-13.22	3	3	0	55	310.507	4	↓ MOL2 SDF SMILES Flexibase

37084012

Analogs

37834048
37834049
37834050
37834051
37835826

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[cyclopentyl(methyl)carbamoyl]cyclohexanecarboxylic (1S,2R)-2-[cyclopentyl(methyl)ca…

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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)	2.46	7.74	-57.63	0	4	-1	60	252.334	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.46	6.26	-10.25	1	4	0	58	253.342	3	↓ MOL2 SDF SMILES Flexibase

37084013

Analogs

37834048
37834049
37834050
37834051
37835826

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[cyclopentyl(methyl)carbamoyl]cyclohexanecarboxylic (1S,2S)-2-[cyclopentyl(methyl)ca…

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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)	2.46	8.76	-60.64	0	4	-1	60	252.334	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.46	6.73	-11.59	1	4	0	58	253.342	3	↓ MOL2 SDF SMILES Flexibase

37084014

Analogs

37834048
37834049
37834050
37834051
37835826

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[cyclopentyl(methyl)carbamoyl]cyclohexanecarboxylic (1R,2R)-2-[cyclopentyl(methyl)ca…

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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)	2.46	8.01	-58.65	0	4	-1	60	252.334	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.46	5.92	-9.81	1	4	0	58	253.342	3	↓ MOL2 SDF SMILES Flexibase

37084015

Analogs

37834048
37834049
37834050
37834051
37835826

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[cyclopentyl(methyl)carbamoyl]cyclohexanecarboxylic (1R,2S)-2-[cyclopentyl(methyl)ca…

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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)	2.46	8.53	-59.35	0	4	-1	60	252.334	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.46	6.49	-11.8	1	4	0	58	253.342	3	↓ MOL2 SDF SMILES Flexibase

37092805

Analogs

37805559
37806759
37806967
37806968
37806969

Draw Identity 99% 90% 80% 70%

Popular Name: 1-amino-N-cyclopentyl-N-methyl-cyclohexanecarboxamide 1-amino-N-cyclopentyl-N-methyl-c…

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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)	2.45	4.58	-47.66	3	3	1	48	225.356	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.45	4.29	-6.25	2	3	0	46	224.348	2	↓ MOL2 SDF SMILES Flexibase

55085731

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-amino-N-cyclopentyl-cyclohexanecarboxamide (1R,2S)-2-amino-N-cyclopentyl-cy…

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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)	1.47	3.34	-38.4	4	3	1	57	211.329	2	↓ MOL2 SDF SMILES Flexibase

55085734

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-amino-N-cyclopentyl-cyclohexanecarboxamide (1S,2S)-2-amino-N-cyclopentyl-cy…

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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)	1.47	3.46	-35.74	4	3	1	57	211.329	2	↓ MOL2 SDF SMILES Flexibase

55085735

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-amino-N-cyclopentyl-cyclohexanecarboxamide (1R,2R)-2-amino-N-cyclopentyl-cy…

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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)	1.47	3.46	-35.86	4	3	1	57	211.329	2	↓ MOL2 SDF SMILES Flexibase

55085737

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-amino-N-cyclopentyl-cyclohexanecarboxamide (1S,2R)-2-amino-N-cyclopentyl-cy…

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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)	1.47	3.34	-38.27	4	3	1	57	211.329	2	↓ MOL2 SDF SMILES Flexibase

55085738

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-amino-N-cyclopentyl-cyclohexanecarboxamide (1R,3S)-3-amino-N-cyclopentyl-cy…

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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)	1.23	3.29	-44.78	4	3	1	57	211.329	2	↓ MOL2 SDF SMILES Flexibase

55085740

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-amino-N-cyclopentyl-cyclohexanecarboxamide (1S,3S)-3-amino-N-cyclopentyl-cy…

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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)	1.23	3.11	-38.8	4	3	1	57	211.329	2	↓ MOL2 SDF SMILES Flexibase

55085742

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-3-amino-N-cyclopentyl-cyclohexanecarboxamide (1R,3R)-3-amino-N-cyclopentyl-cy…

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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)	1.23	3.11	-38.76	4	3	1	57	211.329	2	↓ MOL2 SDF SMILES Flexibase

55085743

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-amino-N-cyclopentyl-cyclohexanecarboxamide (1S,3R)-3-amino-N-cyclopentyl-cy…

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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)	1.23	3.29	-44.76	4	3	1	57	211.329	2	↓ MOL2 SDF SMILES Flexibase

55086986

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-amino-N-cyclopentyl-N-methyl-cyclohexanecarboxamide (1R,2S)-2-amino-N-cyclopentyl-N-…

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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)	1.71	4.68	-40.07	3	3	1	48	225.356	2	↓ MOL2 SDF SMILES Flexibase

55086988

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-amino-N-cyclopentyl-N-methyl-cyclohexanecarboxamide (1S,2S)-2-amino-N-cyclopentyl-N-…

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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)	1.71	4.89	-35.71	3	3	1	48	225.356	2	↓ MOL2 SDF SMILES Flexibase

55086989

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-amino-N-cyclopentyl-N-methyl-cyclohexanecarboxamide (1R,2R)-2-amino-N-cyclopentyl-N-…

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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)	1.71	4.78	-39.34	3	3	1	48	225.356	2	↓ MOL2 SDF SMILES Flexibase

55086991

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-amino-N-cyclopentyl-N-methyl-cyclohexanecarboxamide (1S,2R)-2-amino-N-cyclopentyl-N-…

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)	1.71	4.79	-38.48	3	3	1	48	225.356	2	↓ MOL2 SDF SMILES Flexibase

55086993

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-amino-N-cyclopentyl-N-methyl-cyclohexanecarboxamide (1R,3S)-3-amino-N-cyclopentyl-N-…

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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)	1.48	4.68	-45.94	3	3	1	48	225.356	2	↓ MOL2 SDF SMILES Flexibase

55086995

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-amino-N-cyclopentyl-N-methyl-cyclohexanecarboxamide (1S,3S)-3-amino-N-cyclopentyl-N-…

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)	1.48	4.54	-38.85	3	3	1	48	225.356	2	↓ MOL2 SDF SMILES Flexibase

55086996

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-3-amino-N-cyclopentyl-N-methyl-cyclohexanecarboxamide (1R,3R)-3-amino-N-cyclopentyl-N-…

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)	1.48	4.52	-38.79	3	3	1	48	225.356	2	↓ MOL2 SDF SMILES Flexibase

55086998

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-amino-N-cyclopentyl-N-methyl-cyclohexanecarboxamide (1S,3R)-3-amino-N-cyclopentyl-N-…

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)	1.48	4.71	-45.31	3	3	1	48	225.356	2	↓ MOL2 SDF SMILES Flexibase

55087300

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-amino-N-cyclopentyl-N-ethyl-cyclohexanecarboxamide (1R,2S)-2-amino-N-cyclopentyl-N-…

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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)	2.09	5.46	-38.59	3	3	1	48	239.383	3	↓ MOL2 SDF SMILES Flexibase

55087302

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-amino-N-cyclopentyl-N-ethyl-cyclohexanecarboxamide (1S,2S)-2-amino-N-cyclopentyl-N-…

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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)	2.09	5.62	-37.59	3	3	1	48	239.383	3	↓ MOL2 SDF SMILES Flexibase

55087304

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-amino-N-cyclopentyl-N-ethyl-cyclohexanecarboxamide (1R,2R)-2-amino-N-cyclopentyl-N-…

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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)	2.09	5.56	-36.12	3	3	1	48	239.383	3	↓ MOL2 SDF SMILES Flexibase

55087307

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-amino-N-cyclopentyl-N-ethyl-cyclohexanecarboxamide (1S,2R)-2-amino-N-cyclopentyl-N-…

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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)	2.09	5.37	-39.82	3	3	1	48	239.383	3	↓ MOL2 SDF SMILES Flexibase

55087309

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-amino-N-cyclopentyl-N-ethyl-cyclohexanecarboxamide (1R,3S)-3-amino-N-cyclopentyl-N-…

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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)	1.85	5.37	-45.21	3	3	1	48	239.383	3	↓ MOL2 SDF SMILES Flexibase

55087311

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-amino-N-cyclopentyl-N-ethyl-cyclohexanecarboxamide (1S,3S)-3-amino-N-cyclopentyl-N-…

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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)	1.85	5.36	-38.29	3	3	1	48	239.383	3	↓ MOL2 SDF SMILES Flexibase

55087313

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-3-amino-N-cyclopentyl-N-ethyl-cyclohexanecarboxamide (1R,3R)-3-amino-N-cyclopentyl-N-…

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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)	1.85	5.23	-38.66	3	3	1	48	239.383	3	↓ MOL2 SDF SMILES Flexibase

55087314

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-amino-N-cyclopentyl-N-ethyl-cyclohexanecarboxamide (1S,3R)-3-amino-N-cyclopentyl-N-…

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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)	1.85	5.56	-45.49	3	3	1	48	239.383	3	↓ MOL2 SDF SMILES Flexibase

55088107

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-amino-N-[(1S,2R)-2-methoxycyclopentyl]cyclohexanecarboxamide (1R,3S)-3-amino-N-[(1S,2R)-2-met…

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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)	0.70	2.73	-43.86	4	4	1	66	241.355	3	↓ MOL2 SDF SMILES Flexibase

55088110

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-amino-N-[(1S,2S)-2-methoxycyclopentyl]cyclohexanecarboxamide (1R,3S)-3-amino-N-[(1S,2S)-2-met…

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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)	0.70	2.28	-46.84	4	4	1	66	241.355	3	↓ MOL2 SDF SMILES Flexibase

55088112

Analogs

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Popular Name: (1R,3S)-3-amino-N-[(1R,2R)-2-methoxycyclopentyl]cyclohexanecarboxamide (1R,3S)-3-amino-N-[(1R,2R)-2-met…

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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)	0.70	2.28	-46.78	4	4	1	66	241.355	3	↓ MOL2 SDF SMILES Flexibase

55088115

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-amino-N-[(1R,2S)-2-methoxycyclopentyl]cyclohexanecarboxamide (1R,3S)-3-amino-N-[(1R,2S)-2-met…

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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)	0.70	2.68	-43.85	4	4	1	66	241.355	3	↓ MOL2 SDF SMILES Flexibase

55088642

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-amino-N-(2-amino-2-oxo-ethyl)-N-cyclopentyl-cyclohexanecarboxamide (1R,3S)-3-amino-N-(2-amino-2-oxo…

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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)	0.21	1.91	-51.44	5	5	1	91	268.381	4	↓ MOL2 SDF SMILES Flexibase

55088644

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-amino-N-(2-amino-2-oxo-ethyl)-N-cyclopentyl-cyclohexanecarboxamide (1S,3S)-3-amino-N-(2-amino-2-oxo…

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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)	0.21	1.65	-43.65	5	5	1	91	268.381	4	↓ MOL2 SDF SMILES Flexibase

55088646

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-3-amino-N-(2-amino-2-oxo-ethyl)-N-cyclopentyl-cyclohexanecarboxamide (1R,3R)-3-amino-N-(2-amino-2-oxo…

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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)	0.21	1.71	-43.62	5	5	1	91	268.381	4	↓ MOL2 SDF SMILES Flexibase

55088648

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-amino-N-(2-amino-2-oxo-ethyl)-N-cyclopentyl-cyclohexanecarboxamide (1S,3R)-3-amino-N-(2-amino-2-oxo…

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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)	0.21	1.74	-48.73	5	5	1	91	268.381	4	↓ MOL2 SDF SMILES Flexibase

55090175

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-amino-N-cyclopentyl-N-(2-hydroxyethyl)cyclohexanecarboxamide (1R,3S)-3-amino-N-cyclopentyl-N-…

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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)	0.84	3.36	-46.62	4	4	1	68	255.382	4	↓ MOL2 SDF SMILES Flexibase

55090177

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-amino-N-cyclopentyl-N-(2-hydroxyethyl)cyclohexanecarboxamide (1S,3S)-3-amino-N-cyclopentyl-N-…

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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)	0.84	3.18	-39.17	4	4	1	68	255.382	4	↓ MOL2 SDF SMILES Flexibase

55090180

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-3-amino-N-cyclopentyl-N-(2-hydroxyethyl)cyclohexanecarboxamide (1R,3R)-3-amino-N-cyclopentyl-N-…

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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)	0.84	3.09	-38.95	4	4	1	68	255.382	4	↓ MOL2 SDF SMILES Flexibase

55090181

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-amino-N-cyclopentyl-N-(2-hydroxyethyl)cyclohexanecarboxamide (1S,3R)-3-amino-N-cyclopentyl-N-…

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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)	0.84	3.36	-47.15	4	4	1	68	255.382	4	↓ MOL2 SDF SMILES Flexibase

55091257

Analogs

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Popular Name: (1S,3S,4R)-3-amino-N-cyclopentyl-4-methyl-cyclohexanecarboxamide (1S,3S,4R)-3-amino-N-cyclopentyl…

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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)	1.47	3.73	-44.82	4	3	1	57	225.356	2	↓ MOL2 SDF SMILES Flexibase

55091259

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S,4S)-3-amino-N-cyclopentyl-4-methyl-cyclohexanecarboxamide (1S,3S,4S)-3-amino-N-cyclopentyl…

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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)	1.47	3.92	-43.81	4	3	1	57	225.356	2	↓ MOL2 SDF SMILES Flexibase

55091261

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S,4R)-3-amino-N-cyclopentyl-4-methyl-cyclohexanecarboxamide (1R,3S,4R)-3-amino-N-cyclopentyl…

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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)	1.47	3.56	-37.81	4	3	1	57	225.356	2	↓ MOL2 SDF SMILES Flexibase

55091263

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S,4S)-3-amino-N-cyclopentyl-4-methyl-cyclohexanecarboxamide (1R,3S,4S)-3-amino-N-cyclopentyl…

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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)	1.47	3.76	-38.56	4	3	1	57	225.356	2	↓ MOL2 SDF SMILES Flexibase

55091265

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R,4S)-4-amino-N-cyclopentyl-3-methyl-cyclohexanecarboxamide (1R,3R,4S)-4-amino-N-cyclopentyl…

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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)	1.47	4.28	-42.18	4	3	1	57	225.356	2	↓ MOL2 SDF SMILES Flexibase

55091266

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S,4S)-4-amino-N-cyclopentyl-3-methyl-cyclohexanecarboxamide (1R,3S,4S)-4-amino-N-cyclopentyl…

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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)	1.47	3.77	-41.92	4	3	1	57	225.356	2	↓ MOL2 SDF SMILES Flexibase

55091268

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R,4S)-4-amino-N-cyclopentyl-3-methyl-cyclohexanecarboxamide (1S,3R,4S)-4-amino-N-cyclopentyl…

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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)	1.47	3.72	-49.93	4	3	1	57	225.356	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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