ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

36146163

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6R,8S)-6-(4-methylpiperazine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indoline]-2' (5R,6R,8S)-6-(4-methylpiperazine…

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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)	2.02	3.48	-13.8	1	6	0	56	354.454	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.02	5.83	-50.6	2	6	1	57	355.462	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.02	5.69	-38.94	2	6	1	57	355.462	1	↓ MOL2 SDF SMILES Flexibase

36146164

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S,8S)-6-(4-methylpiperazine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indoline]-2' (5R,6S,8S)-6-(4-methylpiperazine…

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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)	2.02	2.19	-7.4	1	6	0	56	354.454	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.02	4.55	-45.99	2	6	1	57	355.462	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.02	4.42	-25.43	2	6	1	57	355.462	1	↓ MOL2 SDF SMILES Flexibase

36146166

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6R,8R)-6-(4-methylpiperazine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indoline]-2' (5R,6R,8R)-6-(4-methylpiperazine…

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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)	2.02	2.76	-16.43	1	6	0	56	354.454	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.02	5.1	-48.68	2	6	1	57	355.462	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.02	4.9	-34.44	2	6	1	57	355.462	1	↓ MOL2 SDF SMILES Flexibase

36146167

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S,8R)-6-(4-methylpiperazine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indoline]-2' (5R,6S,8R)-6-(4-methylpiperazine…

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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)	2.02	2.47	-7.38	1	6	0	56	354.454	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.02	4.77	-43.5	2	6	1	57	355.462	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.02	4.73	-28.73	2	6	1	57	355.462	1	↓ MOL2 SDF SMILES Flexibase

36146170

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6R,8S)-6-(4-ethylpiperazine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indoline]-2'- (5R,6R,8S)-6-(4-ethylpiperazine-…

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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)	2.40	6.49	-38.94	2	6	1	57	369.489	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.40	4.27	-13.66	1	6	0	56	368.481	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.40	6.48	-49.38	2	6	1	57	369.489	2	↓ MOL2 SDF SMILES Flexibase

36146172

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S,8S)-6-(4-ethylpiperazine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indoline]-2'- (5R,6S,8S)-6-(4-ethylpiperazine-…

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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)	2.40	5.21	-25.38	2	6	1	57	369.489	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.40	2.99	-7.14	1	6	0	56	368.481	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.40	5.21	-44.26	2	6	1	57	369.489	2	↓ MOL2 SDF SMILES Flexibase

36146173

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6R,8R)-6-(4-ethylpiperazine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indoline]-2'- (5R,6R,8R)-6-(4-ethylpiperazine-…

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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)	2.40	5.7	-34.35	2	6	1	57	369.489	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.40	3.54	-16.25	1	6	0	56	368.481	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.40	5.76	-47.45	2	6	1	57	369.489	2	↓ MOL2 SDF SMILES Flexibase

36146175

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S,8R)-6-(4-ethylpiperazine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indoline]-2'- (5R,6S,8R)-6-(4-ethylpiperazine-…

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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)	2.40	5.52	-28.65	2	6	1	57	369.489	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.40	3.26	-7.2	1	6	0	56	368.481	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.40	5.43	-41.83	2	6	1	57	369.489	2	↓ MOL2 SDF SMILES Flexibase

36146206

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,8S)-N-[3-[(3R,5S)-3,5-dimethyl-1-piperidyl]propyl]-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrroliz (2R,3R,8S)-N-[3-[(3R,5S)-3,5-dim…

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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)	3.81	7.84	-47.01	3	6	1	66	425.597	5	↓ MOL2 SDF SMILES Flexibase

36146248

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,8R)-1'-methyl-2'-oxo-N-[2-(trifluoromethyl)phenyl]spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3' (2R,3S,8R)-1'-methyl-2'-oxo-N-[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)	4.67	10.17	-27.43	2	5	1	54	430.45	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.67	7.93	-7.64	1	5	0	53	429.442	3	↓ MOL2 SDF SMILES Flexibase

36146250

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,8R)-1'-methyl-2'-oxo-N-[2-(trifluoromethyl)phenyl]spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3' (2S,3R,8R)-1'-methyl-2'-oxo-N-[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)	4.67	10.19	-30.64	2	5	1	54	430.45	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.67	7.92	-9.79	1	5	0	53	429.442	3	↓ MOL2 SDF SMILES Flexibase

36146251

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,8R)-1'-methyl-2'-oxo-N-[2-(trifluoromethyl)phenyl]spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3' (2S,3S,8R)-1'-methyl-2'-oxo-N-[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)	4.67	11.32	-36.41	2	5	1	54	430.45	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.67	9.08	-11.81	1	5	0	53	429.442	3	↓ MOL2 SDF SMILES Flexibase

36146272

Analogs

36146274
36146276
36146278

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,8R)-1'-methyl-2'-oxo-N-(2,3,4,5,6-pentafluorophenyl)spiro[1,2,5,6,7,8-hexahydropyrrolizine-3, (2R,3R,8R)-1'-methyl-2'-oxo-N-(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)	4.36	9.98	-36.51	2	5	1	54	452.403	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.36	7.74	-14.91	1	5	0	53	451.395	2	↓ MOL2 SDF SMILES Flexibase

36146274

Analogs

36146276
36146278
36146272

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,8R)-1'-methyl-2'-oxo-N-(2,3,4,5,6-pentafluorophenyl)spiro[1,2,5,6,7,8-hexahydropyrrolizine-3, (2R,3S,8R)-1'-methyl-2'-oxo-N-(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)	4.36	9.16	-28.31	2	5	1	54	452.403	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.36	6.94	-7.83	1	5	0	53	451.395	2	↓ MOL2 SDF SMILES Flexibase

36146276

Analogs

36146278
36146272
36146274

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,8R)-1'-methyl-2'-oxo-N-(2,3,4,5,6-pentafluorophenyl)spiro[1,2,5,6,7,8-hexahydropyrrolizine-3, (2S,3R,8R)-1'-methyl-2'-oxo-N-(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)	4.36	9.28	-31.86	2	5	1	54	452.403	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.36	7.03	-7.89	1	5	0	53	451.395	2	↓ MOL2 SDF SMILES Flexibase

36146278

Analogs

36146272
36146274
36146276

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,8R)-1'-methyl-2'-oxo-N-(2,3,4,5,6-pentafluorophenyl)spiro[1,2,5,6,7,8-hexahydropyrrolizine-3, (2S,3S,8R)-1'-methyl-2'-oxo-N-(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)	4.36	10.19	-40.82	2	5	1	54	452.403	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.36	8.23	-12.72	1	5	0	53	451.395	2	↓ MOL2 SDF SMILES Flexibase

36146295

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,8R)-N-(5-chloro-2-methoxy-phenyl)-1'-methyl-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3 (2R,3R,8R)-N-(5-chloro-2-methoxy…

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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)	4.49	9.18	-35.59	2	6	1	63	426.924	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.49	6.92	-17.46	1	6	0	62	425.916	3	↓ MOL2 SDF SMILES Flexibase

36146297

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,8R)-N-(4-acetamidophenyl)-1'-methyl-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoli (2R,3R,8R)-N-(4-acetamidophenyl)…

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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	8.02	-42.95	3	7	1	83	419.505	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.04	5.87	-26.49	2	7	0	82	418.497	3	↓ MOL2 SDF SMILES Flexibase

36146299

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,8R)-N-(4-acetamidophenyl)-1'-methyl-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoli (2S,3R,8R)-N-(4-acetamidophenyl)…

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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	7.75	-37.59	3	7	1	83	419.505	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.04	5.49	-17.12	2	7	0	82	418.497	3	↓ MOL2 SDF SMILES Flexibase

36330178

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6S,7S,8R)-7-(3-nitrophenyl)-6-(pyridine-4-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-i (5S,6S,7S,8R)-7-(3-nitrophenyl)-…

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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	9.19	-13.42	1	8	0	108	454.486	4	↓ MOL2 SDF SMILES Flexibase

36330179

Analogs

35828089
35828090
35828091

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6S,7S,8R)-6-(furan-2-carbonyl)-7-(3-nitrophenyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indo (5S,6S,7S,8R)-6-(furan-2-carbony…

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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)	4.02	8.62	-14.65	1	8	0	108	443.459	4	↓ MOL2 SDF SMILES Flexibase

57991810

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6R,8R)-6-(azepane-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indoline]-2'-one (5S,6R,8R)-6-(azepane-1-carbonyl…

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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)	3.54	5.36	-7	1	5	0	53	353.466	1	↓ MOL2 SDF SMILES Flexibase

57991814

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6R,8R)-6-(azepane-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indoline]-2'-one (5R,6R,8R)-6-(azepane-1-carbonyl…

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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)	3.54	7.2	-17.14	1	5	0	53	353.466	1	↓ MOL2 SDF SMILES Flexibase

57991816

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6S,8R)-6-(azepane-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indoline]-2'-one (5S,6S,8R)-6-(azepane-1-carbonyl…

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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)	3.54	6.98	-13.97	1	5	0	53	353.466	1	↓ MOL2 SDF SMILES Flexibase

57991817

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S,8R)-6-(azepane-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indoline]-2'-one (5R,6S,8R)-6-(azepane-1-carbonyl…

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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)	3.54	5.65	-7.53	1	5	0	53	353.466	1	↓ MOL2 SDF SMILES Flexibase

57991819

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6R,8S)-6-(4-methylpiperidine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indoline]-2' (5R,6R,8S)-6-(4-methylpiperidine…

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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)	3.28	6.41	-14.09	1	5	0	53	353.466	1	↓ MOL2 SDF SMILES Flexibase

57991821

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S,8S)-6-(4-methylpiperidine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indoline]-2' (5R,6S,8S)-6-(4-methylpiperidine…

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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)	3.28	5.97	-7.85	1	5	0	53	353.466	1	↓ MOL2 SDF SMILES Flexibase

57991825

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6R,8R)-6-(4-methylpiperidine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indoline]-2' (5R,6R,8R)-6-(4-methylpiperidine…

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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)	3.28	6.15	-16.27	1	5	0	53	353.466	1	↓ MOL2 SDF SMILES Flexibase

57991826

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S,8R)-6-(4-methylpiperidine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indoline]-2' (5R,6S,8R)-6-(4-methylpiperidine…

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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)	3.28	5.26	-7.67	1	5	0	53	353.466	1	↓ MOL2 SDF SMILES Flexibase

57991830

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6R,8S)-6-(4-phenylpiperazine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indoline]-2' (5R,6R,8S)-6-(4-phenylpiperazine…

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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)	3.72	7.83	-14.34	1	6	0	56	416.525	2	↓ MOL2 SDF SMILES Flexibase

57991831

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S,8S)-6-(4-phenylpiperazine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indoline]-2' (5R,6S,8S)-6-(4-phenylpiperazine…

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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)	3.72	7.24	-8.3	1	6	0	56	416.525	2	↓ MOL2 SDF SMILES Flexibase

57991834

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6R,8R)-6-(4-phenylpiperazine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indoline]-2' (5R,6R,8R)-6-(4-phenylpiperazine…

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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)	3.72	7.68	-16.25	1	6	0	56	416.525	2	↓ MOL2 SDF SMILES Flexibase

57991836

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S,8R)-6-(4-phenylpiperazine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indoline]-2' (5R,6S,8R)-6-(4-phenylpiperazine…

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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)	3.72	6.73	-8.28	1	6	0	56	416.525	2	↓ MOL2 SDF SMILES Flexibase

57991838

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6R,8S)-6-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]spiro[1,2,3,6,7,8-hexahydropyrrolizi (5R,6R,8S)-6-[4-(5-chloro-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)	4.77	9.84	-13.48	1	6	0	56	464.997	2	↓ MOL2 SDF SMILES Flexibase

57991842

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S,8S)-6-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]spiro[1,2,3,6,7,8-hexahydropyrrolizi (5R,6S,8S)-6-[4-(5-chloro-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)	4.77	9.43	-7.5	1	6	0	56	464.997	2	↓ MOL2 SDF SMILES Flexibase

57991846

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6R,8R)-6-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]spiro[1,2,3,6,7,8-hexahydropyrrolizi (5R,6R,8R)-6-[4-(5-chloro-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)	4.77	9.69	-14.96	1	6	0	56	464.997	2	↓ MOL2 SDF SMILES Flexibase

57991849

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S,8R)-6-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]spiro[1,2,3,6,7,8-hexahydropyrrolizi (5R,6S,8R)-6-[4-(5-chloro-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)	4.77	8.71	-7.68	1	6	0	56	464.997	2	↓ MOL2 SDF SMILES Flexibase

57991851

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,8S)-N-benzyl-N-ethyl-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2-carboxami (2R,3R,8S)-N-benzyl-N-ethyl-2'-o…

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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)	3.90	8.89	-14.97	1	5	0	53	389.499	4	↓ MOL2 SDF SMILES Flexibase

57991852

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,8S)-N-benzyl-N-ethyl-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2-carboxami (2S,3R,8S)-N-benzyl-N-ethyl-2'-o…

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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)	3.90	7.09	-7.49	1	5	0	53	389.499	4	↓ MOL2 SDF SMILES Flexibase

57991853

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,8R)-N-benzyl-N-ethyl-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2-carboxami (2R,3R,8R)-N-benzyl-N-ethyl-2'-o…

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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)	3.90	8.91	-17.64	1	5	0	53	389.499	4	↓ MOL2 SDF SMILES Flexibase

57991857

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,8R)-N-benzyl-N-ethyl-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2-carboxami (2S,3R,8R)-N-benzyl-N-ethyl-2'-o…

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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)	3.90	7.4	-7.77	1	5	0	53	389.499	4	↓ MOL2 SDF SMILES Flexibase

57991859

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6R,8R)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-in (5S,6R,8R)-6-[4-(2-fluorophenyl)…

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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)	3.83	7.96	-8.28	1	6	0	56	434.515	2	↓ MOL2 SDF SMILES Flexibase

57991861

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6R,8R)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-in (5R,6R,8R)-6-[4-(2-fluorophenyl)…

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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)	3.83	7.9	-18.23	1	6	0	56	434.515	2	↓ MOL2 SDF SMILES Flexibase

57991864

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6S,8R)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-in (5S,6S,8R)-6-[4-(2-fluorophenyl)…

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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)	3.83	8.33	-14.5	1	6	0	56	434.515	2	↓ MOL2 SDF SMILES Flexibase

57991867

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S,8R)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-in (5R,6S,8R)-6-[4-(2-fluorophenyl)…

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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)	3.83	7.75	-8.92	1	6	0	56	434.515	2	↓ MOL2 SDF SMILES Flexibase

57991869

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,8R)-N-[(3-chlorophenyl)methyl]-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2 (2R,3S,8R)-N-[(3-chlorophenyl)me…

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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)	3.94	5.52	-8.61	2	5	0	61	395.89	3	↓ MOL2 SDF SMILES Flexibase

57991871

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,8R)-N-[(3-chlorophenyl)methyl]-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2 (2R,3R,8R)-N-[(3-chlorophenyl)me…

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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)	3.94	5.76	-14.31	2	5	0	61	395.89	3	↓ MOL2 SDF SMILES Flexibase

57991874

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,8R)-N-[(3-chlorophenyl)methyl]-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2 (2S,3S,8R)-N-[(3-chlorophenyl)me…

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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)	3.94	6.2	-12.62	2	5	0	61	395.89	3	↓ MOL2 SDF SMILES Flexibase

57991876

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,8R)-N-[(3-chlorophenyl)methyl]-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2 (2S,3R,8R)-N-[(3-chlorophenyl)me…

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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)	3.94	5.31	-8.2	2	5	0	61	395.89	3	↓ MOL2 SDF SMILES Flexibase

57991880

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,8S)-N-(3,4-dimethoxyphenyl)-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2-ca (2R,3R,8S)-N-(3,4-dimethoxypheny…

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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)	3.23	5.09	-16.84	2	7	0	80	407.47	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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