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ZINC Item

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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

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

57992025

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.73	6.4	-12.72	2	5	0	61	375.472	3	↓ MOL2 SDF SMILES Flexibase

57992027

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.73	5.68	-7.88	2	5	0	61	375.472	3	↓ MOL2 SDF SMILES Flexibase

57992030

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.73	5.85	-15.41	2	5	0	61	375.472	3	↓ MOL2 SDF SMILES Flexibase

57992032

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.73	5.43	-8.34	2	5	0	61	375.472	3	↓ MOL2 SDF SMILES Flexibase

57992251

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,8S)-N-[(2-ethoxyphenyl)methyl]-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2 (2R,3R,8S)-N-[(2-ethoxyphenyl)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)	3.67	5.98	-14.36	2	6	0	71	405.498	5	↓ MOL2 SDF SMILES Flexibase

57992253

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,8S)-N-[(2-ethoxyphenyl)methyl]-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2 (2S,3R,8S)-N-[(2-ethoxyphenyl)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)	3.67	4.75	-8.75	2	6	0	71	405.498	5	↓ MOL2 SDF SMILES Flexibase

57992255

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,8R)-N-[(2-ethoxyphenyl)methyl]-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2 (2R,3R,8R)-N-[(2-ethoxyphenyl)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)	3.67	5.44	-17.09	2	6	0	71	405.498	5	↓ MOL2 SDF SMILES Flexibase

57992256

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,8R)-N-[(2-ethoxyphenyl)methyl]-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2 (2S,3R,8R)-N-[(2-ethoxyphenyl)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)	3.67	5.97	-16.71	2	6	0	71	405.498	5	↓ MOL2 SDF SMILES Flexibase

57992257

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,8S)-N-[(2-fluorophenyl)methyl]-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2 (2R,3R,8S)-N-[(2-fluorophenyl)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)	3.40	5.74	-13.95	2	5	0	61	379.435	3	↓ MOL2 SDF SMILES Flexibase

57992259

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,8S)-N-[(2-fluorophenyl)methyl]-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2 (2S,3R,8S)-N-[(2-fluorophenyl)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)	3.40	4.8	-8.07	2	5	0	61	379.435	3	↓ MOL2 SDF SMILES Flexibase

57992263

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,8R)-N-[(2-fluorophenyl)methyl]-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2 (2R,3R,8R)-N-[(2-fluorophenyl)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)	3.40	5.19	-16.11	2	5	0	61	379.435	3	↓ MOL2 SDF SMILES Flexibase

57992264

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,8R)-N-[(2-fluorophenyl)methyl]-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2 (2S,3R,8R)-N-[(2-fluorophenyl)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)	3.40	4.79	-8.89	2	5	0	61	379.435	3	↓ MOL2 SDF SMILES Flexibase

57992267

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	4.08	6.49	-13.24	2	6	0	71	419.525	5	↓ MOL2 SDF SMILES Flexibase

57992269

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	4.08	5.85	-9.16	2	6	0	71	419.525	5	↓ MOL2 SDF SMILES Flexibase

57992271

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	4.08	6	-15.96	2	6	0	71	419.525	5	↓ MOL2 SDF SMILES Flexibase

57992275

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	4.08	5.61	-9.82	2	6	0	71	419.525	5	↓ MOL2 SDF SMILES Flexibase

57992277

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,8R)-N-[(3-fluorophenyl)methyl]-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2 (2R,3S,8R)-N-[(3-fluorophenyl)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)	3.42	5.08	-9.35	2	5	0	61	379.435	3	↓ MOL2 SDF SMILES Flexibase

57992279

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,8R)-N-[(3-fluorophenyl)methyl]-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2 (2R,3R,8R)-N-[(3-fluorophenyl)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)	3.42	5.31	-14.71	2	5	0	61	379.435	3	↓ MOL2 SDF SMILES Flexibase

57992281

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,8R)-N-[(3-fluorophenyl)methyl]-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2 (2S,3S,8R)-N-[(3-fluorophenyl)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)	3.42	5.76	-13.28	2	5	0	61	379.435	3	↓ MOL2 SDF SMILES Flexibase

57992283

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,8R)-N-[(3-fluorophenyl)methyl]-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2 (2S,3R,8R)-N-[(3-fluorophenyl)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)	3.42	4.87	-8.79	2	5	0	61	379.435	3	↓ MOL2 SDF SMILES Flexibase

57992285

Analogs

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Popular Name: (2R,3R,8S)-N-[(4-ethoxyphenyl)methyl]-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2 (2R,3R,8S)-N-[(4-ethoxyphenyl)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)	3.71	5.95	-13.37	2	6	0	71	405.498	5	↓ MOL2 SDF SMILES Flexibase

57992288

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,8S)-N-[(4-ethoxyphenyl)methyl]-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2 (2S,3R,8S)-N-[(4-ethoxyphenyl)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)	3.71	5.23	-9.24	2	6	0	71	405.498	5	↓ MOL2 SDF SMILES Flexibase

57992291

Analogs

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Popular Name: (2R,3R,8R)-N-[(4-ethoxyphenyl)methyl]-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2 (2R,3R,8R)-N-[(4-ethoxyphenyl)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)	3.71	5.4	-15.99	2	6	0	71	405.498	5	↓ MOL2 SDF SMILES Flexibase

57992293

Analogs

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Popular Name: (2S,3R,8R)-N-[(4-ethoxyphenyl)methyl]-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indoline]-2 (2S,3R,8R)-N-[(4-ethoxyphenyl)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)	3.71	4.98	-9.72	2	6	0	71	405.498	5	↓ MOL2 SDF SMILES Flexibase

57992378

Analogs

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.53	7.16	-16.21	1	5	0	53	375.472	3	↓ MOL2 SDF SMILES Flexibase

57992383

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.53	7.01	-8.44	1	5	0	53	375.472	3	↓ MOL2 SDF SMILES Flexibase

57992389

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.53	6.77	-9.09	1	5	0	53	375.472	3	↓ MOL2 SDF SMILES Flexibase

57992391

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.53	7.71	-13.51	1	5	0	53	375.472	3	↓ MOL2 SDF SMILES Flexibase

57992415

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,8R)-N-[(2-chlorophenyl)methyl]-1'-methyl-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-i (2R,3R,8R)-N-[(2-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)	4.16	7.58	-16.11	1	5	0	53	409.917	3	↓ MOL2 SDF SMILES Flexibase

57992417

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,8R)-N-[(2-chlorophenyl)methyl]-1'-methyl-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-i (2R,3S,8R)-N-[(2-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)	4.16	7.43	-9.61	1	5	0	53	409.917	3	↓ MOL2 SDF SMILES Flexibase

57992419

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,8R)-N-[(2-chlorophenyl)methyl]-1'-methyl-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-i (2S,3R,8R)-N-[(2-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)	4.16	7.13	-8.45	1	5	0	53	409.917	3	↓ MOL2 SDF SMILES Flexibase

57992422

Analogs

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Popular Name: (2S,3S,8R)-N-[(2-chlorophenyl)methyl]-1'-methyl-2'-oxo-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-i (2S,3S,8R)-N-[(2-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)	4.16	8.37	-14.11	1	5	0	53	409.917	3	↓ MOL2 SDF SMILES Flexibase

57992529

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.98	8.34	-13.61	1	5	0	53	389.499	3	↓ MOL2 SDF SMILES Flexibase

57992531

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.98	7.62	-8.55	1	5	0	53	389.499	3	↓ MOL2 SDF SMILES Flexibase

57992532

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.98	7.78	-16.29	1	5	0	53	389.499	3	↓ MOL2 SDF SMILES Flexibase

57992536

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.98	7.36	-9.12	1	5	0	53	389.499	3	↓ MOL2 SDF SMILES Flexibase

57992704

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.93	8.44	-13.53	1	5	0	53	389.499	3	↓ MOL2 SDF SMILES Flexibase

57992705

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.93	7.32	-8.36	1	5	0	53	389.499	3	↓ MOL2 SDF SMILES Flexibase

57992707

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.93	7.9	-16.33	1	5	0	53	389.499	3	↓ MOL2 SDF SMILES Flexibase

57992709

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.93	7.39	-9.12	1	5	0	53	389.499	3	↓ 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

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 = 178217 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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