ZINC 12

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ZINC Item

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36136456

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-phenylpyrrolidin-1-yl]-[(3R)-3-piperidyl]methanone [(2S)-2-phenylpyrrolidin-1-yl]-[…

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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)	1.86	7.58	-43.79	2	3	1	37	259.373	2	↓ MOL2 SDF SMILES Flexibase

36136458

Analogs

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Popular Name: [(2R)-2-phenylpyrrolidin-1-yl]-[(3R)-3-piperidyl]methanone [(2R)-2-phenylpyrrolidin-1-yl]-[…

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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)	1.86	7.77	-45.15	2	3	1	37	259.373	2	↓ MOL2 SDF SMILES Flexibase

36136459

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-phenylpyrrolidin-1-yl]-[(3S)-3-piperidyl]methanone [(2S)-2-phenylpyrrolidin-1-yl]-[…

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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)	1.86	7.75	-45.31	2	3	1	37	259.373	2	↓ MOL2 SDF SMILES Flexibase

36136461

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-phenylpyrrolidin-1-yl]-[(3S)-3-piperidyl]methanone [(2R)-2-phenylpyrrolidin-1-yl]-[…

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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)	1.86	7.58	-43.8	2	3	1	37	259.373	2	↓ MOL2 SDF SMILES Flexibase

62854202

Analogs

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Popular Name: [(3S)-3-ethyl-3-piperidyl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone [(3S)-3-ethyl-3-piperidyl]-[(2R)…

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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)	2.43	8.17	-45.21	2	3	1	37	287.427	3	↓ MOL2 SDF SMILES Flexibase

62854203

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-ethyl-3-piperidyl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone [(3R)-3-ethyl-3-piperidyl]-[(2R)…

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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)	2.43	8.33	-48.33	2	3	1	37	287.427	3	↓ MOL2 SDF SMILES Flexibase

62854204

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-ethyl-3-piperidyl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone [(3S)-3-ethyl-3-piperidyl]-[(2S)…

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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)	2.43	8.41	-47.92	2	3	1	37	287.427	3	↓ MOL2 SDF SMILES Flexibase

62854205

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-ethyl-3-piperidyl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone [(3R)-3-ethyl-3-piperidyl]-[(2S)…

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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)	2.43	8.11	-44.42	2	3	1	37	287.427	3	↓ MOL2 SDF SMILES Flexibase

62854206

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-methyl-3-piperidyl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone [(3S)-3-methyl-3-piperidyl]-[(2R…

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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)	2.10	7.82	-43.82	2	3	1	37	273.4	2	↓ MOL2 SDF SMILES Flexibase

62854207

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-methyl-3-piperidyl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone [(3R)-3-methyl-3-piperidyl]-[(2R…

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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)	2.10	7.84	-47.16	2	3	1	37	273.4	2	↓ MOL2 SDF SMILES Flexibase

62854208

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-methyl-3-piperidyl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone [(3S)-3-methyl-3-piperidyl]-[(2S…

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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)	2.10	7.83	-47.57	2	3	1	37	273.4	2	↓ MOL2 SDF SMILES Flexibase

62854209

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-methyl-3-piperidyl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone [(3R)-3-methyl-3-piperidyl]-[(2S…

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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)	2.10	7.82	-44.29	2	3	1	37	273.4	2	↓ MOL2 SDF SMILES Flexibase

62857310

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-[(3S)-3-methyl-3-piperidyl]methanone [(2R)-2-(3-chlorophenyl)pyrrolid…

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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)	2.75	8.34	-44.8	2	3	1	37	307.845	2	↓ MOL2 SDF SMILES Flexibase

62857311

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-[(3R)-3-methyl-3-piperidyl]methanone [(2R)-2-(3-chlorophenyl)pyrrolid…

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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)	2.75	8.37	-50.62	2	3	1	37	307.845	2	↓ MOL2 SDF SMILES Flexibase

62857312

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(3-chlorophenyl)pyrrolidin-1-yl]-[(3S)-3-methyl-3-piperidyl]methanone [(2S)-2-(3-chlorophenyl)pyrrolid…

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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)	2.75	8.34	-50.81	2	3	1	37	307.845	2	↓ MOL2 SDF SMILES Flexibase

62857313

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(3-chlorophenyl)pyrrolidin-1-yl]-[(3R)-3-methyl-3-piperidyl]methanone [(2S)-2-(3-chlorophenyl)pyrrolid…

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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)	2.75	8.33	-45.01	2	3	1	37	307.845	2	↓ MOL2 SDF SMILES Flexibase

62857352

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[(3S)-3-methyl-3-piperidyl]methanone [(2R)-2-(2-chlorophenyl)pyrrolid…

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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)	2.73	8.29	-43.74	2	3	1	37	307.845	2	↓ MOL2 SDF SMILES Flexibase

62857353

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[(3R)-3-methyl-3-piperidyl]methanone [(2R)-2-(2-chlorophenyl)pyrrolid…

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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)	2.73	8.5	-35.04	2	3	1	37	307.845	2	↓ MOL2 SDF SMILES Flexibase

62857354

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[(3S)-3-methyl-3-piperidyl]methanone [(2S)-2-(2-chlorophenyl)pyrrolid…

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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)	2.73	8.41	-34.81	2	3	1	37	307.845	2	↓ MOL2 SDF SMILES Flexibase

62857355

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[(3R)-3-methyl-3-piperidyl]methanone [(2S)-2-(2-chlorophenyl)pyrrolid…

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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)	2.73	8.29	-37.44	2	3	1	37	307.845	2	↓ MOL2 SDF SMILES Flexibase

62857356

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-methyl-3-piperidyl]-[(2S)-2-(o-tolyl)pyrrolidin-1-yl]methanone [(3R)-3-methyl-3-piperidyl]-[(2S…

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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)	2.50	8.36	-35.25	2	3	1	37	287.427	2	↓ MOL2 SDF SMILES Flexibase

62857357

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-methyl-3-piperidyl]-[(2R)-2-(o-tolyl)pyrrolidin-1-yl]methanone [(3R)-3-methyl-3-piperidyl]-[(2R…

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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)	2.50	8.51	-34.25	2	3	1	37	287.427	2	↓ MOL2 SDF SMILES Flexibase

62857358

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-methyl-3-piperidyl]-[(2S)-2-(o-tolyl)pyrrolidin-1-yl]methanone [(3S)-3-methyl-3-piperidyl]-[(2S…

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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)	2.50	8.51	-34.04	2	3	1	37	287.427	2	↓ MOL2 SDF SMILES Flexibase

62857359

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-methyl-3-piperidyl]-[(2R)-2-(o-tolyl)pyrrolidin-1-yl]methanone [(3S)-3-methyl-3-piperidyl]-[(2R…

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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)	2.50	8.3	-35.26	2	3	1	37	287.427	2	↓ MOL2 SDF SMILES Flexibase

62857360

Analogs

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Popular Name: [(2R)-2-(3-bromophenyl)pyrrolidin-1-yl]-[(3S)-3-methyl-3-piperidyl]methanone [(2R)-2-(3-bromophenyl)pyrrolidi…

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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)	2.88	8.43	-44.75	2	3	1	37	352.296	2	↓ MOL2 SDF SMILES Flexibase

62857361

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(3-bromophenyl)pyrrolidin-1-yl]-[(3R)-3-methyl-3-piperidyl]methanone [(2R)-2-(3-bromophenyl)pyrrolidi…

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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)	2.88	8.46	-50.67	2	3	1	37	352.296	2	↓ MOL2 SDF SMILES Flexibase

62857362

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-[(3S)-3-methyl-3-piperidyl]methanone [(2S)-2-(3-bromophenyl)pyrrolidi…

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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)	2.88	8.44	-50.82	2	3	1	37	352.296	2	↓ MOL2 SDF SMILES Flexibase

62857363

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-[(3R)-3-methyl-3-piperidyl]methanone [(2S)-2-(3-bromophenyl)pyrrolidi…

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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)	2.88	8.43	-44.98	2	3	1	37	352.296	2	↓ MOL2 SDF SMILES Flexibase

37816228

Analogs

40875129
44935193
44935196
44935199
44935202

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(3-chlorophenyl)pyrrolidin-1-yl]-[(3R)-3-piperidyl]methanone [(2S)-2-(3-chlorophenyl)pyrrolid…

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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	8.1	-42.97	2	3	1	37	293.818	2	↓ MOL2 SDF SMILES Flexibase

37816229

Analogs

40875129
44935193
44935196
44935199
44935202

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-[(3R)-3-piperidyl]methanone [(2R)-2-(3-chlorophenyl)pyrrolid…

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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	8.29	-43.52	2	3	1	37	293.818	2	↓ MOL2 SDF SMILES Flexibase

37816230

Analogs

40875129
44935193
44935196
44935199
44935202

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(3-chlorophenyl)pyrrolidin-1-yl]-[(3S)-3-piperidyl]methanone [(2S)-2-(3-chlorophenyl)pyrrolid…

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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	8.27	-43.3	2	3	1	37	293.818	2	↓ MOL2 SDF SMILES Flexibase

37816231

Analogs

40875129
44935193
44935196
44935199
44935202

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-[(3S)-3-piperidyl]methanone [(2R)-2-(3-chlorophenyl)pyrrolid…

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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)	2.51	8.1	-42.96	2	3	1	37	293.818	2	↓ MOL2 SDF SMILES Flexibase

37817184

Analogs

40423304
44935184
44936633
44936637
44936641

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[(3R)-3-piperidyl]methanone [(2S)-2-(2-chlorophenyl)pyrrolid…

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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)	2.49	7.97	-45.11	2	3	1	37	293.818	2	↓ MOL2 SDF SMILES Flexibase

37817185

Analogs

40423304
44935184
44936633
44936637
44936641

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[(3R)-3-piperidyl]methanone [(2R)-2-(2-chlorophenyl)pyrrolid…

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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)	2.49	8.23	-47.13	2	3	1	37	293.818	2	↓ MOL2 SDF SMILES Flexibase

37817186

Analogs

40423304
44935184
44936633
44936637
44936641

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[(3S)-3-piperidyl]methanone [(2S)-2-(2-chlorophenyl)pyrrolid…

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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)	2.49	8.14	-47.69	2	3	1	37	293.818	2	↓ MOL2 SDF SMILES Flexibase

37817187

Analogs

40423304
44935184
44936633
44936637
44936641

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[(3S)-3-piperidyl]methanone [(2R)-2-(2-chlorophenyl)pyrrolid…

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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)	2.49	8.05	-45.15	2	3	1	37	293.818	2	↓ MOL2 SDF SMILES Flexibase

37817298

Analogs

44856606
44935146
44935149
44935152
44935155

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(o-tolyl)pyrrolidin-1-yl]-[(3R)-3-piperidyl]methanone [(2S)-2-(o-tolyl)pyrrolidin-1-yl…

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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)	2.26	8.07	-43.91	2	3	1	37	273.4	2	↓ MOL2 SDF SMILES Flexibase

37817299

Analogs

44856606
44935146
44935149
44935152
44935155

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(o-tolyl)pyrrolidin-1-yl]-[(3R)-3-piperidyl]methanone [(2R)-2-(o-tolyl)pyrrolidin-1-yl…

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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)	2.26	8.27	-45.25	2	3	1	37	273.4	2	↓ MOL2 SDF SMILES Flexibase

37817300

Analogs

44856606
44935146
44935149
44935152
44935155

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(o-tolyl)pyrrolidin-1-yl]-[(3S)-3-piperidyl]methanone [(2S)-2-(o-tolyl)pyrrolidin-1-yl…

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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)	2.26	8.24	-45.32	2	3	1	37	273.4	2	↓ MOL2 SDF SMILES Flexibase

37817301

Analogs

44856606
44935146
44935149
44935152
44935155

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(o-tolyl)pyrrolidin-1-yl]-[(3S)-3-piperidyl]methanone [(2R)-2-(o-tolyl)pyrrolidin-1-yl…

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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)	2.26	8.11	-43.93	2	3	1	37	273.4	2	↓ MOL2 SDF SMILES Flexibase

37817412

Analogs

44935252
44936728
44936732
44936736
44936740

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-[(3R)-3-piperidyl]methanone [(2S)-2-(3-bromophenyl)pyrrolidi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.64	8.21	-42.86	2	3	1	37	338.269	2	↓ MOL2 SDF SMILES Flexibase

37817413

Analogs

44935252
44936728
44936732
44936736
44936740

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(3-bromophenyl)pyrrolidin-1-yl]-[(3R)-3-piperidyl]methanone [(2R)-2-(3-bromophenyl)pyrrolidi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.64	8.39	-43.48	2	3	1	37	338.269	2	↓ MOL2 SDF SMILES Flexibase

37817414

Analogs

44935252
44936728
44936732
44936736
44936740

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-[(3S)-3-piperidyl]methanone [(2S)-2-(3-bromophenyl)pyrrolidi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.64	8.37	-43.18	2	3	1	37	338.269	2	↓ MOL2 SDF SMILES Flexibase

37817415

Analogs

44935252
44936728
44936732
44936736
44936740

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(3-bromophenyl)pyrrolidin-1-yl]-[(3S)-3-piperidyl]methanone [(2R)-2-(3-bromophenyl)pyrrolidi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.64	8.21	-42.83	2	3	1	37	338.269	2	↓ MOL2 SDF SMILES Flexibase

37821753

Analogs

44935228
44935231
44935234
44935237
44936697

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-[(3R)-3-piperidyl]methanone [(2S)-2-(3,4-dichlorophenyl)pyrr…

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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)	3.14	8.56	-43.92	2	3	1	37	328.263	2	↓ MOL2 SDF SMILES Flexibase

37821754

Analogs

44935228
44935231
44935234
44935237
44936697

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-[(3R)-3-piperidyl]methanone [(2R)-2-(3,4-dichlorophenyl)pyrr…

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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)	3.14	8.75	-44.55	2	3	1	37	328.263	2	↓ MOL2 SDF SMILES Flexibase

37821755

Analogs

44935228
44935231
44935234
44935237
44936697

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-[(3S)-3-piperidyl]methanone [(2S)-2-(3,4-dichlorophenyl)pyrr…

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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)	3.14	8.73	-44.25	2	3	1	37	328.263	2	↓ MOL2 SDF SMILES Flexibase

37821756

Analogs

44935228
44935231
44935234
44935237
44936697

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-[(3S)-3-piperidyl]methanone [(2R)-2-(3,4-dichlorophenyl)pyrr…

Find On: PubMed — Wikipedia — Google

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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)	3.14	8.56	-43.91	2	3	1	37	328.263	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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