ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

36132983

Analogs

37828201
37828202
37828203
37828204
37830726

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(2S)-2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]cyclohexanecarboxylic (1S,2R)-2-[(2S)-2-(dimethylcarba…

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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)	0.36	6.4	-67.34	0	6	-1	81	295.359	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.36	5.56	-19.48	1	6	0	78	296.367	3	↓ MOL2 SDF SMILES Flexibase

36132985

Analogs

37830726
37830727
37830728
37830729
37830745

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(2R)-2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]cyclohexanecarboxylic (1S,2R)-2-[(2R)-2-(dimethylcarba…

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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)	0.36	7.22	-81.92	0	6	-1	81	295.359	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.36	5.15	-22.1	1	6	0	78	296.367	3	↓ MOL2 SDF SMILES Flexibase

36132986

Analogs

37793813
37793814
37793815
37793816
37830726

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[(2S)-2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]cyclohexanecarboxylic (1S,2S)-2-[(2S)-2-(dimethylcarba…

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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)	0.36	7.7	-75.76	0	6	-1	81	295.359	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.36	5.62	-20.25	1	6	0	78	296.367	3	↓ MOL2 SDF SMILES Flexibase

36132987

Analogs

37793813
37793814
37793815
37793816
37830726

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[(2R)-2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]cyclohexanecarboxylic (1S,2S)-2-[(2R)-2-(dimethylcarba…

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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)	0.36	7.61	-76.69	0	6	-1	81	295.359	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.36	5.12	-20.42	1	6	0	78	296.367	3	↓ MOL2 SDF SMILES Flexibase

36136284

Analogs

37806248
37806249
37806338
37806339

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(1-aminocyclohexanecarbonyl)-N,N-dimethyl-pyrrolidine-2-carboxamide (2S)-1-(1-aminocyclohexanecarbon…

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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)	0.35	3.11	-55.25	3	5	1	68	268.381	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.35	3.79	-16.31	2	5	0	67	267.373	2	↓ MOL2 SDF SMILES Flexibase

36136286

Analogs

37806248
37806249
37806338
37806339

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(1-aminocyclohexanecarbonyl)-N,N-dimethyl-pyrrolidine-2-carboxamide (2R)-1-(1-aminocyclohexanecarbon…

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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)	0.35	4.11	-49.67	3	5	1	68	268.381	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.35	4.04	-15.33	2	5	0	67	267.373	2	↓ MOL2 SDF SMILES Flexibase

36976346

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-1-(4-tert-butylcyclohexanecarbonyl)-4-hydroxy-pyrrolidine-2-carboxylic (2R,4R)-1-(4-tert-butylcyclohexa…

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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)	0.31	5.56	-61.46	1	5	-1	81	296.387	3	↓ MOL2 SDF SMILES Flexibase

36976348

Analogs

38338195
38338196
38338197
38338198
22219957

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-1-(4-tert-butylcyclohexanecarbonyl)-4-hydroxy-pyrrolidine-2-carboxylic (2R,4S)-1-(4-tert-butylcyclohexa…

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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)	0.31	5.22	-63.78	1	5	-1	81	296.387	3	↓ MOL2 SDF SMILES Flexibase

36976350

Analogs

38338195
38338196
38338197
38338198
22219957

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-1-(4-tert-butylcyclohexanecarbonyl)-4-hydroxy-pyrrolidine-2-carboxylic (2S,4R)-1-(4-tert-butylcyclohexa…

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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)	0.31	5.24	-62.57	1	5	-1	81	296.387	3	↓ MOL2 SDF SMILES Flexibase

36976352

Analogs

38338195
38338196
38338197
38338198
22219957

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-1-(4-tert-butylcyclohexanecarbonyl)-4-hydroxy-pyrrolidine-2-carboxylic (2S,4S)-1-(4-tert-butylcyclohexa…

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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)	0.31	5.48	-62.36	1	5	-1	81	296.387	3	↓ MOL2 SDF SMILES Flexibase

54668152

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(4-tert-butylcyclohexyl)methanone [(3R)-3-(aminomethyl)pyrrolidin-…

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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)	2.36	6.04	-50.19	3	3	1	48	267.437	3	↓ MOL2 SDF SMILES Flexibase

54668153

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(4-tert-butylcyclohexyl)methanone [(3S)-3-(aminomethyl)pyrrolidin-…

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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)	2.36	6.02	-50.3	3	3	1	48	267.437	3	↓ MOL2 SDF SMILES Flexibase

13798396

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-2-amino-1-methyl-2-oxo-ethyl]-1-[(1R,2S)-2-(hydroxycarbamoyl)cyclohexanecarbonyl]pyrrol (2S)-N-[(1S)-2-amino-1-methyl-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)	-0.28	0.11	-25.79	5	9	0	142	354.407	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.28	1.33	-75.1	4	9	-1	145	353.399	5	↓ MOL2 SDF SMILES Flexibase

13798398

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-2-amino-1-methyl-2-oxo-ethyl]-1-[(1S,2S)-2-(hydroxycarbamoyl)cyclohexanecarbonyl]pyrrol (2S)-N-[(1S)-2-amino-1-methyl-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)	-0.28	0.06	-26.67	5	9	0	142	354.407	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.28	1.28	-79.31	4	9	-1	145	353.399	5	↓ MOL2 SDF SMILES Flexibase

13798401

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-2-amino-1-methyl-2-oxo-ethyl]-1-[(1R,2R)-2-(hydroxycarbamoyl)cyclohexanecarbonyl]pyrrol (2S)-N-[(1S)-2-amino-1-methyl-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)	-0.28	0.41	-25.98	5	9	0	142	354.407	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.28	1.62	-76.71	4	9	-1	145	353.399	5	↓ MOL2 SDF SMILES Flexibase

13798404

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-2-amino-1-methyl-2-oxo-ethyl]-1-[(1S,2R)-2-(hydroxycarbamoyl)cyclohexanecarbonyl]pyrrol (2S)-N-[(1S)-2-amino-1-methyl-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)	-0.28	0.29	-26.41	5	9	0	142	354.407	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.28	1.5	-78.89	4	9	-1	145	353.399	5	↓ MOL2 SDF SMILES Flexibase

62912661

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(cyclohexanecarbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(cyclohexanecarbonyl)-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)	1.94	6.87	-51.31	0	4	-1	60	238.307	2	↓ MOL2 SDF SMILES Flexibase

62912662

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(cyclohexanecarbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(cyclohexanecarbonyl)-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)	1.94	7.15	-45.86	0	4	-1	60	238.307	2	↓ MOL2 SDF SMILES Flexibase

62912839

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(4-butylcyclohexanecarbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(4-butylcyclohexanecarbon…

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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)	3.47	9.85	-51.26	0	4	-1	60	294.415	5	↓ MOL2 SDF SMILES Flexibase

62912840

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(4-butylcyclohexanecarbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(4-butylcyclohexanecarbon…

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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)	3.47	9.62	-55.19	0	4	-1	60	294.415	5	↓ MOL2 SDF SMILES Flexibase

62913685

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(4-tert-butylcyclohexanecarbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(4-tert-butylcyclohexanec…

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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)	3.04	9.06	-42.55	0	4	-1	60	294.415	3	↓ MOL2 SDF SMILES Flexibase

62913686

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(4-tert-butylcyclohexanecarbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(4-tert-butylcyclohexanec…

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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)	3.04	8.85	-45.13	0	4	-1	60	294.415	3	↓ MOL2 SDF SMILES Flexibase

62914276

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(cyclohexanecarbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-(cyclohexanecarbonyl)-3-e…

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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)	2.28	7.72	-42.76	0	4	-1	60	252.334	3	↓ MOL2 SDF SMILES Flexibase

62914277

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(cyclohexanecarbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-(cyclohexanecarbonyl)-3-e…

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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)	2.28	7.64	-44.84	0	4	-1	60	252.334	3	↓ MOL2 SDF SMILES Flexibase

62915532

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(1-aminocyclohexanecarbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(1-aminocyclohexanecarbon…

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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)	1.04	4.17	-84.39	3	5	0	88	254.33	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.04	4.62	-52.06	2	5	-1	86	253.322	2	↓ MOL2 SDF SMILES Flexibase

62915533

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(1-aminocyclohexanecarbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(1-aminocyclohexanecarbon…

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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)	1.04	4.04	-72.39	3	5	0	88	254.33	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.04	3.79	-52.18	2	5	-1	86	253.322	2	↓ MOL2 SDF SMILES Flexibase

62915761

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(4-aminocyclohexanecarbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(4-aminocyclohexanecarbon…

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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)	-0.17	4.32	-73.71	3	5	0	88	254.33	2	↓ MOL2 SDF SMILES Flexibase

62915764

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(4-aminocyclohexanecarbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(4-aminocyclohexanecarbon…

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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)	-0.17	4.09	-73.98	3	5	0	88	254.33	2	↓ MOL2 SDF SMILES Flexibase

62916514

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(1R,3S)-3-aminocyclohexanecarbonyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(1R,3S)-3-aminocyclohexa…

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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)	0.07	4.1	-81.7	3	5	0	88	254.33	2	↓ MOL2 SDF SMILES Flexibase

62916516

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1R,3S)-3-aminocyclohexanecarbonyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(1R,3S)-3-aminocyclohexa…

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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)	0.07	4.38	-67.55	3	5	0	88	254.33	2	↓ MOL2 SDF SMILES Flexibase

62916518

Analogs

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Popular Name: (3S)-1-[(1S,3S)-3-aminocyclohexanecarbonyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(1S,3S)-3-aminocyclohexa…

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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)	0.07	4.01	-67.33	3	5	0	88	254.33	2	↓ MOL2 SDF SMILES Flexibase

62916521

Analogs

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Popular Name: (3R)-1-[(1S,3S)-3-aminocyclohexanecarbonyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(1S,3S)-3-aminocyclohexa…

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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)	0.07	4.02	-74.94	3	5	0	88	254.33	2	↓ MOL2 SDF SMILES Flexibase

62917167

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(1-aminocyclohexanecarbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-(1-aminocyclohexanecarbon…

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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)	1.38	4.62	-76.42	3	5	0	88	268.357	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.38	4.38	-45.91	2	5	-1	86	267.349	3	↓ MOL2 SDF SMILES Flexibase

62917170

Analogs

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Popular Name: (3R)-1-(1-aminocyclohexanecarbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-(1-aminocyclohexanecarbon…

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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)	1.38	4.53	-71.42	3	5	0	88	268.357	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.38	4.29	-51.42	2	5	-1	86	267.349	3	↓ MOL2 SDF SMILES Flexibase

62917481

Analogs

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Popular Name: (3S)-1-(4-aminocyclohexanecarbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-(4-aminocyclohexanecarbon…

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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)	0.17	4.67	-64.69	3	5	0	88	268.357	3	↓ MOL2 SDF SMILES Flexibase

62917484

Analogs

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Popular Name: (3R)-1-(4-aminocyclohexanecarbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-(4-aminocyclohexanecarbon…

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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)	0.17	4.59	-72.81	3	5	0	88	268.357	3	↓ MOL2 SDF SMILES Flexibase

62917905

Analogs

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Popular Name: (3S)-1-[(1R,3S)-3-aminocyclohexanecarbonyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[(1R,3S)-3-aminocyclohexa…

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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)	0.40	4.94	-75.55	3	5	0	88	268.357	3	↓ MOL2 SDF SMILES Flexibase

62917907

Analogs

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Popular Name: (3R)-1-[(1R,3S)-3-aminocyclohexanecarbonyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[(1R,3S)-3-aminocyclohexa…

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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)	0.40	4.88	-66.29	3	5	0	88	268.357	3	↓ MOL2 SDF SMILES Flexibase

62917909

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(1S,3S)-3-aminocyclohexanecarbonyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[(1S,3S)-3-aminocyclohexa…

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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)	0.40	4.6	-71.14	3	5	0	88	268.357	3	↓ MOL2 SDF SMILES Flexibase

62917912

Analogs

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Popular Name: (3R)-1-[(1S,3S)-3-aminocyclohexanecarbonyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[(1S,3S)-3-aminocyclohexa…

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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)	0.40	4.52	-73.93	3	5	0	88	268.357	3	↓ MOL2 SDF SMILES Flexibase

62918296

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(1-aminocyclohexanecarbonyl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(1-aminocyclohexanecarbon…

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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)	1.94	5.38	-76.64	3	5	0	88	282.384	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.94	5.97	-47.84	2	5	-1	86	281.376	4	↓ MOL2 SDF SMILES Flexibase

62918299

Analogs

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Popular Name: (3R)-1-(1-aminocyclohexanecarbonyl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(1-aminocyclohexanecarbon…

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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)	1.94	5.29	-71.53	3	5	0	88	282.384	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.94	5.04	-51.8	2	5	-1	86	281.376	4	↓ MOL2 SDF SMILES Flexibase

62918665

Analogs

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Popular Name: (3S)-1-(4-aminocyclohexanecarbonyl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(4-aminocyclohexanecarbon…

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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)	0.73	5.4	-68.1	3	5	0	88	282.384	4	↓ MOL2 SDF SMILES Flexibase

62918667

Analogs

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Popular Name: (3R)-1-(4-aminocyclohexanecarbonyl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(4-aminocyclohexanecarbon…

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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)	0.73	5.34	-73.13	3	5	0	88	282.384	4	↓ MOL2 SDF SMILES Flexibase

62919163

Analogs

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Popular Name: (3S)-1-(cyclohexanecarbonyl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(cyclohexanecarbonyl)-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)	2.84	8.49	-43.07	0	4	-1	60	266.361	4	↓ MOL2 SDF SMILES Flexibase

62919165

Analogs

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Popular Name: (3R)-1-(cyclohexanecarbonyl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(cyclohexanecarbonyl)-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)	2.84	8.39	-45.21	0	4	-1	60	266.361	4	↓ MOL2 SDF SMILES Flexibase

62919241

Analogs

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Popular Name: (3S)-1-[(1R,3S)-3-aminocyclohexanecarbonyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(1R,3S)-3-aminocyclohexa…

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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)	0.96	5.72	-75.96	3	5	0	88	282.384	4	↓ MOL2 SDF SMILES Flexibase

62919243

Analogs

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Popular Name: (3R)-1-[(1R,3S)-3-aminocyclohexanecarbonyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(1R,3S)-3-aminocyclohexa…

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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)	0.96	5.63	-66.4	3	5	0	88	282.384	4	↓ MOL2 SDF SMILES Flexibase

62919245

Analogs

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Popular Name: (3S)-1-[(1S,3S)-3-aminocyclohexanecarbonyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(1S,3S)-3-aminocyclohexa…

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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)	0.96	5.37	-71.45	3	5	0	88	282.384	4	↓ MOL2 SDF SMILES Flexibase

62919246

Analogs

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Popular Name: (3R)-1-[(1S,3S)-3-aminocyclohexanecarbonyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(1S,3S)-3-aminocyclohexa…

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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)	0.96	5.27	-74.23	3	5	0	88	282.384	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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