ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

19433764

Analogs

42826111
42826114
42826117
42826120
42826309

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-1-(cyclohexylcarbamoyl)-4-methoxy-pyrrolidine-2-carboxylic (2S,4R)-1-(cyclohexylcarbamoyl)-…

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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)	0.33	4.01	-67.29	1	6	-1	82	269.321	3	↓ MOL2 SDF SMILES Flexibase

19433766

Analogs

42826111
42826114
42826117
42826120
42826309

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-1-(cyclohexylcarbamoyl)-4-methoxy-pyrrolidine-2-carboxylic (2S,4S)-1-(cyclohexylcarbamoyl)-…

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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)	0.33	4.04	-65.66	1	6	-1	82	269.321	3	↓ MOL2 SDF SMILES Flexibase

19433768

Analogs

41682266
41682268
41682270
41682272
41682725

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-1-(cyclohexylcarbamoyl)-4-methoxy-pyrrolidine-2-carboxylic (2R,4R)-1-(cyclohexylcarbamoyl)-…

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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)	0.33	4.03	-66.27	1	6	-1	82	269.321	3	↓ MOL2 SDF SMILES Flexibase

19433769

Analogs

42826111
42826114
42826117
42826120
42826309

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-1-(cyclohexylcarbamoyl)-4-methoxy-pyrrolidine-2-carboxylic (2R,4S)-1-(cyclohexylcarbamoyl)-…

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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)	0.33	4.02	-67.74	1	6	-1	82	269.321	3	↓ MOL2 SDF SMILES Flexibase

1379328

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N'-tert-butyl-N-cyclohexyl-pyrrolidine-1,2-dicarboxamide (2R)-N'-tert-butyl-N-cyclohexyl-…

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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)	3.13	-2.56	-16.65	2	5	0	61	295.427	3	↓ MOL2 SDF SMILES Flexibase

1379329

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N'-tert-butyl-N-cyclohexyl-pyrrolidine-1,2-dicarboxamide (2S)-N'-tert-butyl-N-cyclohexyl-…

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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)	3.13	-2.58	-16.66	2	5	0	61	295.427	3	↓ MOL2 SDF SMILES Flexibase

1379330

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclohexyl-N'-isoamyl-pyrrolidine-1,2-dicarboxamide (2R)-N-cyclohexyl-N'-isoamyl-pyr…

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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)	3.60	7.46	-17.77	2	5	0	61	309.454	5	↓ MOL2 SDF SMILES Flexibase

1379331

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclohexyl-N'-isoamyl-pyrrolidine-1,2-dicarboxamide (2S)-N-cyclohexyl-N'-isoamyl-pyr…

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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)	3.60	7.18	-17.56	2	5	0	61	309.454	5	↓ MOL2 SDF SMILES Flexibase

1379340

Analogs

4796449
4796450
4796451
4796452
6603733

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclohexyl-N'-isobutyl-pyrrolidine-1,2-dicarboxamide (2R)-N-cyclohexyl-N'-isobutyl-py…

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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)	3.07	-2.81	-17.76	2	5	0	61	295.427	4	↓ MOL2 SDF SMILES Flexibase

1379341

Analogs

4796449
4796450
4796451
4796452
6603733

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclohexyl-N'-isobutyl-pyrrolidine-1,2-dicarboxamide (2S)-N-cyclohexyl-N'-isobutyl-py…

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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)	3.07	-2.62	-17.6	2	5	0	61	295.427	4	↓ MOL2 SDF SMILES Flexibase

1379344

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N'-tert-amyl-N-cyclohexyl-pyrrolidine-1,2-dicarboxamide (2R)-N'-tert-amyl-N-cyclohexyl-p…

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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)	3.63	7.09	-16.7	2	5	0	61	309.454	4	↓ MOL2 SDF SMILES Flexibase

1379345

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N'-tert-amyl-N-cyclohexyl-pyrrolidine-1,2-dicarboxamide (2S)-N'-tert-amyl-N-cyclohexyl-p…

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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)	3.63	6.84	-16.53	2	5	0	61	309.454	4	↓ MOL2 SDF SMILES Flexibase

1379650

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclohexyl-N'-isopropyl-pyrrolidine-1,2-dicarboxamide (2R)-N-cyclohexyl-N'-isopropyl-p…

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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)	2.62	6.21	-18.13	2	5	0	61	281.4	3	↓ MOL2 SDF SMILES Flexibase

1379651

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclohexyl-N'-isopropyl-pyrrolidine-1,2-dicarboxamide (2S)-N-cyclohexyl-N'-isopropyl-p…

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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)	2.62	5.93	-17.97	2	5	0	61	281.4	3	↓ MOL2 SDF SMILES Flexibase

62922208

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(cyclohexylcarbamoyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(cyclohexylcarbamoyl)-3-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)	2.44	6.18	-52.37	1	5	-1	72	253.322	2	↓ MOL2 SDF SMILES Flexibase

62922210

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(cyclohexylcarbamoyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(cyclohexylcarbamoyl)-3-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)	2.44	6.3	-56.09	1	5	-1	72	253.322	2	↓ MOL2 SDF SMILES Flexibase

62922216

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(cyclohexylcarbamoyl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(cyclohexylcarbamoyl)-3-p…

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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)	3.34	7.51	-47.69	1	5	-1	72	281.376	4	↓ MOL2 SDF SMILES Flexibase

62922218

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(cyclohexylcarbamoyl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(cyclohexylcarbamoyl)-3-p…

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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)	3.34	7.56	-56.04	1	5	-1	72	281.376	4	↓ MOL2 SDF SMILES Flexibase

62923876

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-[(4-methylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[(4-methylcycloh…

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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	6.79	-52.46	1	5	-1	72	267.349	2	↓ MOL2 SDF SMILES Flexibase

62923879

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-[(4-methylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[(4-methylcycloh…

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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	7.3	-55.6	1	5	-1	72	267.349	2	↓ MOL2 SDF SMILES Flexibase

62923881

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-[(4-methylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(4-methylcyclohe…

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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)	2.55	7.37	-47.19	1	5	-1	72	281.376	3	↓ MOL2 SDF SMILES Flexibase

62923882

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-[(4-methylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(4-methylcyclohe…

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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)	2.55	7.81	-54.6	1	5	-1	72	281.376	3	↓ MOL2 SDF SMILES Flexibase

62923885

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(4-methylcyclohexyl)carbamoyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(4-methylcyclohexyl)carb…

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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)	3.11	8.12	-47.65	1	5	-1	72	295.403	4	↓ MOL2 SDF SMILES Flexibase

62923888

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(4-methylcyclohexyl)carbamoyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(4-methylcyclohexyl)carb…

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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)	3.11	8.58	-55.01	1	5	-1	72	295.403	4	↓ MOL2 SDF SMILES Flexibase

62923948

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(4-hydroxycyclohexyl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(4-hydroxycyclohexyl)car…

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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)	0.82	3.26	-54.32	2	6	-1	93	269.321	2	↓ MOL2 SDF SMILES Flexibase

62923950

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(4-hydroxycyclohexyl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(4-hydroxycyclohexyl)car…

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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)	0.82	2.96	-58.49	2	6	-1	93	269.321	2	↓ MOL2 SDF SMILES Flexibase

62923957

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-[(4-hydroxycyclohexyl)carbamoyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(4-hydroxycycloh…

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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)	1.16	3.42	-49.56	2	6	-1	93	283.348	3	↓ MOL2 SDF SMILES Flexibase

62923959

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-[(4-hydroxycyclohexyl)carbamoyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(4-hydroxycycloh…

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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)	1.16	3.87	-55.88	2	6	-1	93	283.348	3	↓ MOL2 SDF SMILES Flexibase

62923960

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(4-hydroxycyclohexyl)carbamoyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(4-hydroxycyclohexyl)car…

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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)	1.72	4.17	-49.99	2	6	-1	93	297.375	4	↓ MOL2 SDF SMILES Flexibase

62923961

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(4-hydroxycyclohexyl)carbamoyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(4-hydroxycyclohexyl)car…

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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)	1.72	4.64	-56.31	2	6	-1	93	297.375	4	↓ MOL2 SDF SMILES Flexibase

62923982

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[cyclohexyl(methyl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[cyclohexyl(methyl)carbam…

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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)	2.13	7.53	-54.28	0	5	-1	64	267.349	2	↓ MOL2 SDF SMILES Flexibase

62923984

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[cyclohexyl(methyl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[cyclohexyl(methyl)carbam…

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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)	2.13	7.62	-47.84	0	5	-1	64	267.349	2	↓ MOL2 SDF SMILES Flexibase

62923991

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[cyclohexyl(methyl)carbamoyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[cyclohexyl(methyl)carbam…

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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)	2.47	8.19	-44.42	0	5	-1	64	281.376	3	↓ MOL2 SDF SMILES Flexibase

62923993

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[cyclohexyl(methyl)carbamoyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[cyclohexyl(methyl)carbam…

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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)	2.47	8.11	-46.85	0	5	-1	64	281.376	3	↓ MOL2 SDF SMILES Flexibase

62923999

Analogs

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Popular Name: (3S)-1-[cyclohexyl(methyl)carbamoyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[cyclohexyl(methyl)carbam…

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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)	3.03	8.97	-44.7	0	5	-1	64	295.403	4	↓ MOL2 SDF SMILES Flexibase

62924002

Analogs

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Popular Name: (3R)-1-[cyclohexyl(methyl)carbamoyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[cyclohexyl(methyl)carbam…

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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)	3.03	8.87	-47.18	0	5	-1	64	295.403	4	↓ MOL2 SDF SMILES Flexibase

62924095

Analogs

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Popular Name: (3R)-1-[cyclohexyl(ethyl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[cyclohexyl(ethyl)carbamo…

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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	8.35	-53.93	0	5	-1	64	281.376	3	↓ MOL2 SDF SMILES Flexibase

62924097

Analogs

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Popular Name: (3S)-1-[cyclohexyl(ethyl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[cyclohexyl(ethyl)carbamo…

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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	8.39	-45.67	0	5	-1	64	281.376	3	↓ MOL2 SDF SMILES Flexibase

62924100

Analogs

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Popular Name: (3S)-1-[cyclohexyl(ethyl)carbamoyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[cyclohexyl(ethyl)carbamo…

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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)	2.85	9.03	-45.33	0	5	-1	64	295.403	4	↓ MOL2 SDF SMILES Flexibase

62924103

Analogs

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Popular Name: (3R)-1-[cyclohexyl(ethyl)carbamoyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[cyclohexyl(ethyl)carbamo…

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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)	2.85	8.91	-45.15	0	5	-1	64	295.403	4	↓ MOL2 SDF SMILES Flexibase

62924267

Analogs

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Popular Name: (3R)-3-methyl-1-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[[(1S,2R)-2-meth…

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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)	2.68	7.46	-52.17	1	5	-1	72	267.349	2	↓ MOL2 SDF SMILES Flexibase

62924268

Analogs

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Popular Name: (3R)-3-methyl-1-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[[(1S,2S)-2-meth…

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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)	2.68	7.05	-52.6	1	5	-1	72	267.349	2	↓ MOL2 SDF SMILES Flexibase

62924269

Analogs

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Popular Name: (3R)-3-methyl-1-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[[(1R,2R)-2-meth…

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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)	2.68	7.05	-52.54	1	5	-1	72	267.349	2	↓ MOL2 SDF SMILES Flexibase

62924270

Analogs

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Popular Name: (3R)-3-methyl-1-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[[(1R,2S)-2-meth…

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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)	2.68	7.46	-51.88	1	5	-1	72	267.349	2	↓ MOL2 SDF SMILES Flexibase

62924271

Analogs

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Popular Name: (3S)-3-ethyl-1-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[[(1R,2S)-2-methy…

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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)	3.02	8.03	-46.93	1	5	-1	72	281.376	3	↓ MOL2 SDF SMILES Flexibase

62924272

Analogs

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Popular Name: (3R)-3-ethyl-1-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[[(1R,2S)-2-methy…

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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)	3.02	8.06	-54.94	1	5	-1	72	281.376	3	↓ MOL2 SDF SMILES Flexibase

62924273

Analogs

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Popular Name: (3S)-3-ethyl-1-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[[(1S,2S)-2-methy…

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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)	3.02	7.63	-47.18	1	5	-1	72	281.376	3	↓ MOL2 SDF SMILES Flexibase

62924274

Analogs

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Popular Name: (3R)-3-ethyl-1-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[[(1S,2S)-2-methy…

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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)	3.02	7.66	-55.84	1	5	-1	72	281.376	3	↓ MOL2 SDF SMILES Flexibase

62924275

Analogs

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Popular Name: (3S)-1-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[[(1R,2S)-2-methylcyclohe…

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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)	3.58	8.78	-47.39	1	5	-1	72	295.403	4	↓ MOL2 SDF SMILES Flexibase

62924276

Analogs

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Popular Name: (3R)-1-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[[(1R,2S)-2-methylcyclohe…

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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)	3.58	8.82	-55.39	1	5	-1	72	295.403	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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