ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

36136438

Analogs

37817288
37817289
37817290
37817291

Draw Identity 99% 90% 80% 70%

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

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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)	1.82	7.13	-38.24	2	3	1	37	245.346	2	↓ MOL2 SDF SMILES Flexibase

36136440

Analogs

37817288
37817289
37817290
37817291

Draw Identity 99% 90% 80% 70%

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

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)	1.82	7.1	-37.91	2	3	1	37	245.346	2	↓ MOL2 SDF SMILES Flexibase

36136441

Analogs

37817288
37817289
37817290
37817291

Draw Identity 99% 90% 80% 70%

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

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)	1.82	7.21	-38.63	2	3	1	37	245.346	2	↓ MOL2 SDF SMILES Flexibase

36136443

Analogs

37817288
37817289
37817290
37817291

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-phenylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]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)	1.82	7.12	-38.14	2	3	1	37	245.346	2	↓ MOL2 SDF SMILES Flexibase

36136532

Analogs

37803688
37803689
37803690
37803691
37817222

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,4S)-4-hydroxypyrrolidin-2-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone [(2S,4S)-4-hydroxypyrrolidin-2-y…

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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)	0.91	3.82	-43.25	3	4	1	57	261.345	2	↓ MOL2 SDF SMILES Flexibase

36136533

Analogs

37803688
37803689
37803690
37803691
37817222

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,4S)-4-hydroxypyrrolidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone [(2S,4S)-4-hydroxypyrrolidin-2-y…

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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)	0.91	3.75	-43.03	3	4	1	57	261.345	2	↓ MOL2 SDF SMILES Flexibase

36136535

Analogs

37803688
37803689
37803690
37803691
37817222

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,4S)-4-hydroxypyrrolidin-2-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone [(2R,4S)-4-hydroxypyrrolidin-2-y…

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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)	0.91	3.77	-39.96	3	4	1	57	261.345	2	↓ MOL2 SDF SMILES Flexibase

36136536

Analogs

37803688
37803689
37803690
37803691
37817222

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,4S)-4-hydroxypyrrolidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone [(2R,4S)-4-hydroxypyrrolidin-2-y…

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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)	0.91	3.83	-40.18	3	4	1	57	261.345	2	↓ MOL2 SDF SMILES Flexibase

37816218

Analogs

58345326
58345327
58345328
37007255
37007256

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-chlorophenyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine hydrochloride 2-(3-chlorophenyl)-1-[(2S)-pyrro…

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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)	2.48	7.65	-37.71	2	3	1	37	279.791	2	↓ MOL2 SDF SMILES Flexibase

37816219

Analogs

58345326
58345327
58345328
37007255
37007256

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-chlorophenyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine hydrochloride 2-(3-chlorophenyl)-1-[(2S)-pyrro…

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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)	2.48	7.62	-37.07	2	3	1	37	279.791	2	↓ MOL2 SDF SMILES Flexibase

37816220

Analogs

58345326
58345327
58345328
37007255
37007256

Draw Identity 99% 90% 80% 70%

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

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)	2.48	7.73	-37.12	2	3	1	37	279.791	2	↓ MOL2 SDF SMILES Flexibase

37816221

Analogs

58345326
58345327
58345328
37007255
37007256

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]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)	2.48	7.64	-37.54	2	3	1	37	279.791	2	↓ MOL2 SDF SMILES Flexibase

37816266

Analogs

37007361
37007362
37007363
37007364

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(3-chlorophenyl)pyrrolidin-1-yl]-[(2S,4S)-4-hydroxypyrrolidin-2-yl]methanone [(2S)-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)	1.56	4.34	-43.23	3	4	1	57	295.79	2	↓ MOL2 SDF SMILES Flexibase

37816267

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-[(2S,4S)-4-hydroxypyrrolidin-2-yl]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)	1.56	4.27	-41.58	3	4	1	57	295.79	2	↓ MOL2 SDF SMILES Flexibase

37816268

Analogs

37007361
37007362
37007363
37007364

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(3-chlorophenyl)pyrrolidin-1-yl]-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone [(2S)-2-(3-chlorophenyl)pyrrolid…

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)	1.56	4.29	-38.92	3	4	1	57	295.79	2	↓ MOL2 SDF SMILES Flexibase

37816269

Analogs

37007361
37007362
37007363
37007364

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone [(2R)-2-(3-chlorophenyl)pyrrolid…

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)	1.56	4.35	-39.96	3	4	1	57	295.79	2	↓ MOL2 SDF SMILES Flexibase

37817174

Analogs

49092530
49092533

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-chlorophenyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine hydrochloride 2-(2-chlorophenyl)-1-[(2S)-pyrro…

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)	2.45	7.45	-40.03	2	3	1	37	279.791	2	↓ MOL2 SDF SMILES Flexibase

37817175

Analogs

49092530
49092533

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-chlorophenyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine hydrochloride 2-(2-chlorophenyl)-1-[(2S)-pyrro…

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)	2.45	7.57	-40.06	2	3	1	37	279.791	2	↓ MOL2 SDF SMILES Flexibase

37817176

Analogs

49092530
49092533

Draw Identity 99% 90% 80% 70%

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

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)	2.45	7.6	-41.53	2	3	1	37	279.791	2	↓ MOL2 SDF SMILES Flexibase

37817177

Analogs

49092530
49092533

Draw Identity 99% 90% 80% 70%

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

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)	2.45	7.58	-39.92	2	3	1	37	279.791	2	↓ MOL2 SDF SMILES Flexibase

37817222

Analogs

36136532
36136533
36136535
36136536
37019467

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[(2S,4S)-4-hydroxypyrrolidin-2-yl]methanone [(2S)-2-(2-chlorophenyl)pyrrolid…

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)	1.54	4.18	-44.2	3	4	1	57	295.79	2	↓ MOL2 SDF SMILES Flexibase

37817223

Analogs

36136532
36136533
36136535
36136536
37019467

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[(2S,4S)-4-hydroxypyrrolidin-2-yl]methanone [(2R)-2-(2-chlorophenyl)pyrrolid…

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)	1.54	4.2	-45.77	3	4	1	57	295.79	2	↓ MOL2 SDF SMILES Flexibase

37817224

Analogs

36136532
36136533
36136535
36136536
37019467

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone [(2S)-2-(2-chlorophenyl)pyrrolid…

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)	1.54	4.15	-42.47	3	4	1	57	295.79	2	↓ MOL2 SDF SMILES Flexibase

37817225

Analogs

36136532
36136533
36136535
36136536
37019467

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone [(2R)-2-(2-chlorophenyl)pyrrolid…

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)	1.54	4.28	-41.66	3	4	1	57	295.79	2	↓ MOL2 SDF SMILES Flexibase

37817288

Analogs

49092541
49092544
36136441
36136443
36136438

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-methylphenyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine hydrochloride 2-(2-methylphenyl)-1-[(2S)-pyrro…

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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)	2.22	7.55	-38.59	2	3	1	37	259.373	2	↓ MOL2 SDF SMILES Flexibase

37817289

Analogs

49092541
49092544
36136441
36136443
36136438

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-methylphenyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine hydrochloride 2-(2-methylphenyl)-1-[(2S)-pyrro…

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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)	2.22	7.62	-38.33	2	3	1	37	259.373	2	↓ MOL2 SDF SMILES Flexibase

37817290

Analogs

49092541
49092544
36136441
36136443
36136438

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(o-tolyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]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)	2.22	7.7	-39.04	2	3	1	37	259.373	2	↓ MOL2 SDF SMILES Flexibase

37817291

Analogs

49092541
49092544
36136441
36136443
36136438

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(o-tolyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]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)	2.22	7.64	-38.4	2	3	1	37	259.373	2	↓ MOL2 SDF SMILES Flexibase

37817336

Analogs

36136532
36136533
36136535
36136536
36136780

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,4S)-4-hydroxypyrrolidin-2-yl]-[(2S)-2-(o-tolyl)pyrrolidin-1-yl]methanone [(2S,4S)-4-hydroxypyrrolidin-2-y…

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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)	1.31	4.27	-43.59	3	4	1	57	275.372	2	↓ MOL2 SDF SMILES Flexibase

37817337

Analogs

36136532
36136533
36136535
36136536
36136780

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,4S)-4-hydroxypyrrolidin-2-yl]-[(2R)-2-(o-tolyl)pyrrolidin-1-yl]methanone [(2S,4S)-4-hydroxypyrrolidin-2-y…

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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)	1.31	4.26	-43.41	3	4	1	57	275.372	2	↓ MOL2 SDF SMILES Flexibase

37817338

Analogs

36136532
36136533
36136535
36136536
36136780

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,4S)-4-hydroxypyrrolidin-2-yl]-[(2S)-2-(o-tolyl)pyrrolidin-1-yl]methanone [(2R,4S)-4-hydroxypyrrolidin-2-y…

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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)	1.31	4.25	-40.43	3	4	1	57	275.372	2	↓ MOL2 SDF SMILES Flexibase

37817339

Analogs

36136532
36136533
36136535
36136536
36136780

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,4S)-4-hydroxypyrrolidin-2-yl]-[(2R)-2-(o-tolyl)pyrrolidin-1-yl]methanone [(2R,4S)-4-hydroxypyrrolidin-2-y…

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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)	1.31	4.34	-40.69	3	4	1	57	275.372	2	↓ MOL2 SDF SMILES Flexibase

37817402

Analogs

49092554
49092557

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]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)	2.61	7.76	-37.63	2	3	1	37	324.242	2	↓ MOL2 SDF SMILES Flexibase

37817403

Analogs

49092554
49092557

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(3-bromophenyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]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)	2.61	7.73	-36.99	2	3	1	37	324.242	2	↓ MOL2 SDF SMILES Flexibase

37817404

Analogs

49092554
49092557

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]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)	2.61	7.84	-37.04	2	3	1	37	324.242	2	↓ MOL2 SDF SMILES Flexibase

37817405

Analogs

49092554
49092557

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(3-bromophenyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]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)	2.61	7.74	-37.43	2	3	1	37	324.242	2	↓ MOL2 SDF SMILES Flexibase

37817450

Analogs

37006740
37006741
37006742
37006743

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-[(2S,4S)-4-hydroxypyrrolidin-2-yl]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)	1.69	4.44	-43.14	3	4	1	57	340.241	2	↓ MOL2 SDF SMILES Flexibase

37817451

Analogs

37006740
37006741
37006742
37006743

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(3-bromophenyl)pyrrolidin-1-yl]-[(2S,4S)-4-hydroxypyrrolidin-2-yl]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)	1.69	4.37	-41.48	3	4	1	57	340.241	2	↓ MOL2 SDF SMILES Flexibase

37817452

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-[(2R,4S)-4-hydroxypyrrolidin-2-yl]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)	1.69	4.4	-38.8	3	4	1	57	340.241	2	↓ MOL2 SDF SMILES Flexibase

37817453

Analogs

37006740
37006741
37006742
37006743

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(3-bromophenyl)pyrrolidin-1-yl]-[(2R,4S)-4-hydroxypyrrolidin-2-yl]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)	1.69	4.45	-39.89	3	4	1	57	340.241	2	↓ MOL2 SDF SMILES Flexibase

37821743

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]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)	3.11	8.11	-39.12	2	3	1	37	314.236	2	↓ MOL2 SDF SMILES Flexibase

37821744

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]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)	3.11	8.08	-38.62	2	3	1	37	314.236	2	↓ MOL2 SDF SMILES Flexibase

37821745

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]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)	3.11	8.19	-38.71	2	3	1	37	314.236	2	↓ MOL2 SDF SMILES Flexibase

37821746

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]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)	3.11	8.1	-39.01	2	3	1	37	314.236	2	↓ MOL2 SDF SMILES Flexibase

37821783

Analogs

37007361
37007362
37007363
37007364

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-[(2S,4S)-4-hydroxypyrrolidin-2-yl]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)	2.19	4.8	-44.76	3	4	1	57	330.235	2	↓ MOL2 SDF SMILES Flexibase

37821784

Analogs

37007361
37007362
37007363
37007364

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-[(2S,4S)-4-hydroxypyrrolidin-2-yl]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)	2.19	4.73	-43.1	3	4	1	57	330.235	2	↓ MOL2 SDF SMILES Flexibase

37821785

Analogs

37007361
37007362
37007363
37007364

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-[(2R,4S)-4-hydroxypyrrolidin-2-yl]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)	2.19	4.75	-40.47	3	4	1	57	330.235	2	↓ MOL2 SDF SMILES Flexibase

37821786

Analogs

37007361
37007362
37007363
37007364

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-[(2R,4S)-4-hydroxypyrrolidin-2-yl]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)	2.19	4.81	-41.45	3	4	1	57	330.235	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

SQL Query Was

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