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ZINC Item

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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

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

57991881

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,8S)-N-(3,4-dimethoxyphenyl)-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2-ca (2S,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	4.02	-11.29	2	7	0	80	407.47	4	↓ MOL2 SDF SMILES Flexibase

57991884

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,8R)-N-(3,4-dimethoxyphenyl)-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2-ca (2R,3R,8R)-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	4.26	-19.15	2	7	0	80	407.47	4	↓ MOL2 SDF SMILES Flexibase

57991888

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,8R)-N-(3,4-dimethoxyphenyl)-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2-ca (2S,3R,8R)-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	3.84	-11.28	2	7	0	80	407.47	4	↓ MOL2 SDF SMILES Flexibase

57991890

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,8S)-N-(3-methoxyphenyl)-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2-carbox (2R,3R,8S)-N-(3-methoxyphenyl)-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)	3.61	5.19	-14.5	2	6	0	71	377.444	3	↓ MOL2 SDF SMILES Flexibase

57991891

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,8S)-N-(3-methoxyphenyl)-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2-carbox (2S,3R,8S)-N-(3-methoxyphenyl)-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)	3.61	4.07	-11.4	2	6	0	71	377.444	3	↓ MOL2 SDF SMILES Flexibase

57991894

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,8R)-N-(3-methoxyphenyl)-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2-carbox (2R,3R,8R)-N-(3-methoxyphenyl)-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)	3.61	4.35	-17.29	2	6	0	71	377.444	3	↓ MOL2 SDF SMILES Flexibase

57991898

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,8R)-N-(3-methoxyphenyl)-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2-carbox (2S,3R,8R)-N-(3-methoxyphenyl)-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)	3.61	3.92	-9.17	2	6	0	71	377.444	3	↓ MOL2 SDF SMILES Flexibase

57991899

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,8R)-N-(2-chlorophenyl)-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2-carboxa (2R,3S,8R)-N-(2-chlorophenyl)-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)	4.21	5.38	-6.62	2	5	0	61	381.863	2	↓ MOL2 SDF SMILES Flexibase

57991902

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,8R)-N-(2-chlorophenyl)-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2-carboxa (2R,3R,8R)-N-(2-chlorophenyl)-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)	4.21	5.65	-14.21	2	5	0	61	381.863	2	↓ MOL2 SDF SMILES Flexibase

57991905

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,8R)-N-(2-chlorophenyl)-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2-carboxa (2S,3S,8R)-N-(2-chlorophenyl)-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)	4.21	6.49	-12.4	2	5	0	61	381.863	2	↓ MOL2 SDF SMILES Flexibase

57991907

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,8R)-N-(2-chlorophenyl)-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2-carboxa (2S,3R,8R)-N-(2-chlorophenyl)-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)	4.21	5.33	-7.96	2	5	0	61	381.863	2	↓ MOL2 SDF SMILES Flexibase

57991910

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,8R)-N-(4-chlorophenyl)-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2-carboxa (2R,3S,8R)-N-(4-chlorophenyl)-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)	4.26	5.34	-8.1	2	5	0	61	381.863	2	↓ MOL2 SDF SMILES Flexibase

57991912

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,8R)-N-(4-chlorophenyl)-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2-carboxa (2R,3R,8R)-N-(4-chlorophenyl)-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)	4.26	5.62	-15.37	2	5	0	61	381.863	2	↓ MOL2 SDF SMILES Flexibase

57991915

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,8R)-N-(4-chlorophenyl)-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2-carboxa (2S,3S,8R)-N-(4-chlorophenyl)-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)	4.26	6.4	-13.47	2	5	0	61	381.863	2	↓ MOL2 SDF SMILES Flexibase

57991917

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,8R)-N-(4-chlorophenyl)-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2-carboxa (2S,3R,8R)-N-(4-chlorophenyl)-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)	4.26	5.22	-7.96	2	5	0	61	381.863	2	↓ MOL2 SDF SMILES Flexibase

57991920

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	4.63	7.3	-15.49	2	5	0	61	395.89	2	↓ MOL2 SDF SMILES Flexibase

57991923

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	4.63	6.31	-8.75	2	5	0	61	395.89	2	↓ MOL2 SDF SMILES Flexibase

57991928

Analogs

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

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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)	4.63	6.46	-17.13	2	5	0	61	395.89	2	↓ MOL2 SDF SMILES Flexibase

57991930

Analogs

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

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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)	4.63	6.07	-8.51	2	5	0	61	395.89	2	↓ MOL2 SDF SMILES Flexibase

57991949

Analogs

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

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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)	3.84	5.15	-6.01	2	5	0	61	383.398	2	↓ MOL2 SDF SMILES Flexibase

57991951

Analogs

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

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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)	3.84	5.21	-13.28	2	5	0	61	383.398	2	↓ MOL2 SDF SMILES Flexibase

57991956

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.84	6.04	-11.55	2	5	0	61	383.398	2	↓ MOL2 SDF SMILES Flexibase

57991958

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.84	4.84	-7.18	2	5	0	61	383.398	2	↓ MOL2 SDF SMILES Flexibase

57991960

Analogs

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

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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)	3.44	7.82	-13.42	2	5	0	61	375.472	2	↓ MOL2 SDF SMILES Flexibase

57991962

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.44	5.95	-7.89	2	5	0	61	375.472	2	↓ MOL2 SDF SMILES Flexibase

57991965

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.44	6.6	-15.39	2	5	0	61	375.472	2	↓ MOL2 SDF SMILES Flexibase

57991970

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.44	6.26	-9.82	2	5	0	61	375.472	2	↓ MOL2 SDF SMILES Flexibase

57991973

Analogs

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Popular Name: ethyl ethyl

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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)	4.10	7.48	-14.51	2	7	0	88	419.481	5	↓ MOL2 SDF SMILES Flexibase

57991974

Analogs

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Popular Name: ethyl ethyl

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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)	4.10	6.35	-15.37	2	7	0	88	419.481	5	↓ MOL2 SDF SMILES Flexibase

57991977

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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)	4.10	6.63	-17.56	2	7	0	88	419.481	5	↓ MOL2 SDF SMILES Flexibase

57991983

Analogs

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Popular Name: ethyl ethyl

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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)	4.10	6.2	-14.59	2	7	0	88	419.481	5	↓ MOL2 SDF SMILES Flexibase

57991986

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,8S)-N-(2-ethylphenyl)-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2-carboxam (2R,3R,8S)-N-(2-ethylphenyl)-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)	4.45	7.56	-14.09	2	5	0	61	375.472	3	↓ MOL2 SDF SMILES Flexibase

57991991

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,8S)-N-(2-ethylphenyl)-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2-carboxam (2S,3R,8S)-N-(2-ethylphenyl)-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)	4.45	6.55	-7.59	2	5	0	61	375.472	3	↓ MOL2 SDF SMILES Flexibase

57991995

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,8R)-N-(2-ethylphenyl)-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2-carboxam (2R,3R,8R)-N-(2-ethylphenyl)-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)	4.45	6.72	-16.38	2	5	0	61	375.472	3	↓ MOL2 SDF SMILES Flexibase

57991998

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,8R)-N-(2-ethylphenyl)-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2-carboxam (2S,3R,8R)-N-(2-ethylphenyl)-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)	4.45	6.33	-8.13	2	5	0	61	375.472	3	↓ MOL2 SDF SMILES Flexibase

57992001

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,8R)-N-(4-fluorophenyl)-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2-carboxa (2R,3S,8R)-N-(4-fluorophenyl)-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)	3.74	4.88	-8.64	2	5	0	61	365.408	2	↓ MOL2 SDF SMILES Flexibase

57992003

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,8R)-N-(4-fluorophenyl)-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2-carboxa (2R,3R,8R)-N-(4-fluorophenyl)-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)	3.74	5.17	-15.85	2	5	0	61	365.408	2	↓ MOL2 SDF SMILES Flexibase

57992005

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,8R)-N-(4-fluorophenyl)-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2-carboxa (2S,3S,8R)-N-(4-fluorophenyl)-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)	3.74	5.95	-13.88	2	5	0	61	365.408	2	↓ MOL2 SDF SMILES Flexibase

57992008

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,8R)-N-(4-fluorophenyl)-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2-carboxa (2S,3R,8R)-N-(4-fluorophenyl)-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)	3.74	4.76	-8.41	2	5	0	61	365.408	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 69946
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 69946 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
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