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ZINC Item

Suppliers, Protomers, & Similar Substances

22760165

Analogs

4585202

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-3-(4-ethylbenzoyl)-N-phenyl-indolizine-1-carboxamide 2-amino-3-(4-ethylbenzoyl)-N-phe…

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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)	4.87	10.55	-15.24	3	5	0	77	383.451	5	↓ MOL2 SDF SMILES Flexibase

22760212

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-3-(3,4-dimethoxybenzoyl)-N-(p-tolyl)indolizine-1-carboxamide 2-amino-3-(3,4-dimethoxybenzoyl)…

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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)	4.05	9.01	-15.74	3	7	0	95	429.476	6	↓ MOL2 SDF SMILES Flexibase

22760233

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-3-(3,4-dimethoxybenzoyl)-N-(3,4-dimethylphenyl)indolizine-1-carboxamide 2-amino-3-(3,4-dimethoxybenzoyl)…

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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)	4.43	9.68	-16.1	3	7	0	95	443.503	6	↓ MOL2 SDF SMILES Flexibase

22760261

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-3-(3,4-dimethoxybenzoyl)-N-(2,4-dimethylphenyl)indolizine-1-carboxamide 2-amino-3-(3,4-dimethoxybenzoyl)…

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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)	4.43	9.8	-15.65	3	7	0	95	443.503	6	↓ MOL2 SDF SMILES Flexibase

22760292

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-3-(3,4-dimethoxybenzoyl)-N-(2,3-dimethylphenyl)indolizine-1-carboxamide 2-amino-3-(3,4-dimethoxybenzoyl)…

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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)	4.40	9.85	-15.71	3	7	0	95	443.503	6	↓ MOL2 SDF SMILES Flexibase

22760318

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-3-(3,4-dimethoxybenzoyl)-N-(2,5-dimethylphenyl)indolizine-1-carboxamide 2-amino-3-(3,4-dimethoxybenzoyl)…

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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)	4.43	9.85	-15.68	3	7	0	95	443.503	6	↓ MOL2 SDF SMILES Flexibase

22760350

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-(3,5-dimethylphenyl)-3-(4-nitrobenzoyl)indolizine-1-carboxamide 2-amino-N-(3,5-dimethylphenyl)-3…

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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)	4.74	11.1	-15.09	3	8	0	122	428.448	5	↓ MOL2 SDF SMILES Flexibase

22760383

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-3-(3,4-dimethoxybenzoyl)-N-(4-methoxyphenyl)indolizine-1-carboxamide 2-amino-3-(3,4-dimethoxybenzoyl)…

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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)	3.66	7.66	-16.54	3	8	0	104	445.475	7	↓ MOL2 SDF SMILES Flexibase

22760391

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-3-(3,4-dimethoxybenzoyl)-N-(3-methoxyphenyl)indolizine-1-carboxamide 2-amino-3-(3,4-dimethoxybenzoyl)…

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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)	3.63	7.67	-18.76	3	8	0	104	445.475	7	↓ MOL2 SDF SMILES Flexibase

22760400

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-3-(4-bromobenzoyl)-N-(3-methoxyphenyl)indolizine-1-carboxamide 2-amino-3-(4-bromobenzoyl)-N-(3-…

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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)	4.80	9.05	-15.34	3	6	0	86	464.319	5	↓ MOL2 SDF SMILES Flexibase

22760411

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-3-(3,4-dimethoxybenzoyl)-N-(2-methoxyphenyl)indolizine-1-carboxamide 2-amino-3-(3,4-dimethoxybenzoyl)…

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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	7.78	-15.68	3	8	0	104	445.475	7	↓ MOL2 SDF SMILES Flexibase

22760415

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-3-(3,4-dimethylbenzoyl)-N-(2-methoxyphenyl)indolizine-1-carboxamide 2-amino-3-(3,4-dimethylbenzoyl)-…

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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)	4.79	9.87	-13.86	3	6	0	86	413.477	5	↓ MOL2 SDF SMILES Flexibase

22760427

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-3-(3,4-dimethoxybenzoyl)-N-(2,4-dimethoxyphenyl)indolizine-1-carboxamide 2-amino-3-(3,4-dimethoxybenzoyl)…

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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)	3.64	7.09	-16.11	3	9	0	114	475.501	8	↓ MOL2 SDF SMILES Flexibase

22760442

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-3-(3,4-dimethoxybenzoyl)-N-(2,5-dimethoxyphenyl)indolizine-1-carboxamide 2-amino-3-(3,4-dimethoxybenzoyl)…

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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)	3.64	7.08	-18.25	3	9	0	114	475.501	8	↓ MOL2 SDF SMILES Flexibase

22760454

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-(2,5-dimethoxyphenyl)-3-(4-nitrobenzoyl)indolizine-1-carboxamide 2-amino-N-(2,5-dimethoxyphenyl)-…

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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)	3.95	8.5	-17.24	3	10	0	141	460.446	7	↓ MOL2 SDF SMILES Flexibase

22760490

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-3-(3,4-dimethoxybenzoyl)-N-[2-(trifluoromethyl)phenyl]indolizine-1-carboxamide 2-amino-3-(3,4-dimethoxybenzoyl)…

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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	9.64	-14.43	3	7	0	95	483.446	7	↓ MOL2 SDF SMILES Flexibase

22760497

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-3-(3-nitrobenzoyl)-N-[2-(trifluoromethyl)phenyl]indolizine-1-carboxamide 2-amino-3-(3-nitrobenzoyl)-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)	4.74	11.02	-15.1	3	8	0	122	468.391	6	↓ MOL2 SDF SMILES Flexibase

22760529

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-(4-bromophenyl)-3-(3,4-dimethoxybenzoyl)indolizine-1-carboxamide 2-amino-N-(4-bromophenyl)-3-(3,4…

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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)	4.41	8.98	-15.26	3	7	0	95	494.345	6	↓ MOL2 SDF SMILES Flexibase

22760568

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-3-(3,4-dimethoxybenzoyl)-N-(4-ethylphenyl)indolizine-1-carboxamide 2-amino-3-(3,4-dimethoxybenzoyl)…

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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)	4.51	9.79	-15.66	3	7	0	95	443.503	7	↓ MOL2 SDF SMILES Flexibase

22760634

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-(3,5-dichlorophenyl)-3-(3,4-dimethoxybenzoyl)indolizine-1-carboxamide 2-amino-N-(3,5-dichlorophenyl)-3…

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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)	4.89	9.38	-14.55	3	7	0	95	484.339	6	↓ MOL2 SDF SMILES Flexibase

22760674

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-(3-chloro-4-methyl-phenyl)-3-(3,4-dimethoxybenzoyl)indolizine-1-carboxamide 2-amino-N-(3-chloro-4-methyl-phe…

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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)	4.66	9.49	-16.94	3	7	0	95	463.921	6	↓ MOL2 SDF SMILES Flexibase

22760712

Analogs

4585205

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-(2-ethylphenyl)-3-(4-methylbenzoyl)indolizine-1-carboxamide 2-amino-N-(2-ethylphenyl)-3-(4-m…

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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)	5.27	11.39	-12.97	3	5	0	77	397.478	5	↓ MOL2 SDF SMILES Flexibase

22760716

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-3-(3,4-dimethoxybenzoyl)-N-(2-ethylphenyl)indolizine-1-carboxamide 2-amino-3-(3,4-dimethoxybenzoyl)…

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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)	4.47	10	-14.98	3	7	0	95	443.503	7	↓ MOL2 SDF SMILES Flexibase

22760758

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-(3,4-dichlorophenyl)-3-(3,4-dimethoxybenzoyl)indolizine-1-carboxamide 2-amino-N-(3,4-dichlorophenyl)-3…

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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)	4.88	9.33	-16.73	3	7	0	95	484.339	6	↓ MOL2 SDF SMILES Flexibase

22760761

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-(3,4-dichlorophenyl)-3-(4-methoxybenzoyl)indolizine-1-carboxamide 2-amino-N-(3,4-dichlorophenyl)-3…

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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)	5.30	9.41	-14.73	3	6	0	86	454.313	5	↓ MOL2 SDF SMILES Flexibase

22760907

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-(2,3-dichlorophenyl)-3-(3,4-dimethoxybenzoyl)indolizine-1-carboxamide 2-amino-N-(2,3-dichlorophenyl)-3…

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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)	4.86	9.46	-13.79	3	7	0	95	484.339	6	↓ MOL2 SDF SMILES Flexibase

22760915

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-(2,3-dichlorophenyl)-3-(3-nitrobenzoyl)indolizine-1-carboxamide 2-amino-N-(2,3-dichlorophenyl)-3…

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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)	5.15	10.87	-14.79	3	8	0	122	469.284	5	↓ MOL2 SDF SMILES Flexibase

22760956

Analogs

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Popular Name: 2-amino-N-(3,4-dimethoxyphenyl)-3-(4-methoxybenzoyl)indolizine-1-carboxamide 2-amino-N-(3,4-dimethoxyphenyl)-…

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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)	3.66	7.66	-16.8	3	8	0	104	445.475	7	↓ MOL2 SDF SMILES Flexibase

22760996

Analogs

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Popular Name: 2-amino-N-(2-chlorophenyl)-3-(3,4-dimethoxybenzoyl)indolizine-1-carboxamide 2-amino-N-(2-chlorophenyl)-3-(3,…

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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)	4.23	8.99	-14.2	3	7	0	95	449.894	6	↓ MOL2 SDF SMILES Flexibase

22761023

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-(2,4-dichlorophenyl)-3-(3,4-dimethoxybenzoyl)indolizine-1-carboxamide 2-amino-N-(2,4-dichlorophenyl)-3…

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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)	4.88	9.47	-12.86	3	7	0	95	484.339	6	↓ MOL2 SDF SMILES Flexibase

22761065

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-(2,4-dichlorophenyl)-3-(4-ethoxybenzoyl)indolizine-1-carboxamide 2-amino-N-(2,4-dichlorophenyl)-3…

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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)	5.67	10.47	-10.77	3	6	0	86	468.34	6	↓ MOL2 SDF SMILES Flexibase

22761069

Analogs

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Popular Name: 2-amino-N-(5-chloro-2-methoxy-phenyl)-3-(3,4-dimethoxybenzoyl)indolizine-1-carboxamide 2-amino-N-(5-chloro-2-methoxy-ph…

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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	8.29	-15.89	3	8	0	104	479.92	7	↓ MOL2 SDF SMILES Flexibase

22761104

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-(3-chloro-2-methyl-phenyl)-3-(3,4-dimethoxybenzoyl)indolizine-1-carboxamide 2-amino-N-(3-chloro-2-methyl-phe…

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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	9.66	-14.4	3	7	0	95	463.921	6	↓ MOL2 SDF SMILES Flexibase

22761154

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-(5-chloro-2-methyl-phenyl)-3-(3,4-dimethoxybenzoyl)indolizine-1-carboxamide 2-amino-N-(5-chloro-2-methyl-phe…

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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)	4.66	9.65	-16.32	3	7	0	95	463.921	6	↓ MOL2 SDF SMILES Flexibase

22761162

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Popular Name: 2-amino-N-(5-chloro-2-methyl-phenyl)-3-(3-nitrobenzoyl)indolizine-1-carboxamide 2-amino-N-(5-chloro-2-methyl-phe…

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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)	4.94	11.07	-16.95	3	8	0	122	448.866	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 124046
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 = 124046 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=124046&filter.purchasability=annotated

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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', {
        "ring.id": "124046"        

    });
</script>

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