ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

12233032

Analogs

12233033

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-fluorophenyl)methyl]-2-(oxo-phenyl-BLAHyl)acetamide N-[(4-fluorophenyl)methyl]-2-(ox…

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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)	2.58	-1.22	-14.04	1	7	0	82	435.484	5	↓ MOL2 SDF SMILES Flexibase

12233033

Analogs

12233032

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-fluorophenyl)methyl]-2-(oxo-phenyl-BLAHyl)acetamide N-[(4-fluorophenyl)methyl]-2-(ox…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.58	-1.2	-14.43	1	7	0	82	435.484	5	↓ MOL2 SDF SMILES Flexibase

12233037

Analogs

12233040

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-methoxyphenyl)methyl]-2-(oxo-phenyl-BLAHyl)acetamide N-[(4-methoxyphenyl)methyl]-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)	2.47	-1.94	-14.48	1	8	0	91	447.52	6	↓ MOL2 SDF SMILES Flexibase

12233040

Analogs

12233037

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-methoxyphenyl)methyl]-2-(oxo-phenyl-BLAHyl)acetamide N-[(4-methoxyphenyl)methyl]-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)	2.47	-1.94	-14.21	1	8	0	91	447.52	6	↓ MOL2 SDF SMILES Flexibase

12233044

Analogs

12233049

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-methoxyphenyl)methyl]-2-(oxo-phenyl-BLAHyl)acetamide N-[(2-methoxyphenyl)methyl]-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)	2.43	-1.9	-14.31	1	8	0	91	447.52	6	↓ MOL2 SDF SMILES Flexibase

12233049

Analogs

12233044

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-methoxyphenyl)methyl]-2-(oxo-phenyl-BLAHyl)acetamide N-[(2-methoxyphenyl)methyl]-2-(o…

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Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.43	-1.9	-13.56	1	8	0	91	447.52	6	↓ MOL2 SDF SMILES Flexibase

12233256

Analogs

12233259
14015516
14015519

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-methoxyphenyl)methyl]-2-(oxo-phenyl-BLAHyl)acetamide N-[(3-methoxyphenyl)methyl]-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)	2.45	-1.94	-13.96	1	8	0	91	447.52	6	↓ MOL2 SDF SMILES Flexibase

12233259

Analogs

14015516
14015519
12233256

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-methoxyphenyl)methyl]-2-(oxo-phenyl-BLAHyl)acetamide N-[(3-methoxyphenyl)methyl]-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)	2.45	-1.94	-14.73	1	8	0	91	447.52	6	↓ MOL2 SDF SMILES Flexibase

14008200

Analogs

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Popular Name: N-benzyl-2-(oxo-phenyl-BLAHyl)acetamide N-benzyl-2-(oxo-phenyl-BLAHyl)ac…

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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)	2.42	10.35	-12.93	1	7	0	82	417.494	5	↓ MOL2 SDF SMILES Flexibase

14008202

Analogs

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Popular Name: N-benzyl-2-(oxo-phenyl-BLAHyl)acetamide N-benzyl-2-(oxo-phenyl-BLAHyl)ac…

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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)	2.42	10.38	-13.25	1	7	0	82	417.494	5	↓ MOL2 SDF SMILES Flexibase

14008204

Analogs

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Popular Name: N-[(2-chlorophenyl)methyl]-2-(oxo-phenyl-BLAHyl)acetamide N-[(2-chlorophenyl)methyl]-2-(ox…

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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)	3.05	10.78	-13.96	1	7	0	82	451.939	5	↓ MOL2 SDF SMILES Flexibase

14008205

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-chlorophenyl)methyl]-2-(oxo-phenyl-BLAHyl)acetamide N-[(2-chlorophenyl)methyl]-2-(ox…

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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)	3.05	10.8	-13.84	1	7	0	82	451.939	5	↓ MOL2 SDF SMILES Flexibase

14008207

Analogs

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Popular Name: 2-(oxo-phenyl-BLAHyl)-N-(p-tolylmethyl)acetamide 2-(oxo-phenyl-BLAHyl)-N-(p-tolyl…

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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)	2.87	11.03	-12.84	1	7	0	82	431.521	5	↓ MOL2 SDF SMILES Flexibase

14008209

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(oxo-phenyl-BLAHyl)-N-(p-tolylmethyl)acetamide 2-(oxo-phenyl-BLAHyl)-N-(p-tolyl…

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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)	2.87	11.04	-12.82	1	7	0	82	431.521	5	↓ MOL2 SDF SMILES Flexibase

14008212

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(oxo-phenyl-BLAHyl)-N-[(1R)-1-phenylethyl]acetamide 2-(oxo-phenyl-BLAHyl)-N-[(1R)-1-…

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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)	2.98	11.2	-12.76	1	7	0	82	431.521	5	↓ MOL2 SDF SMILES Flexibase

14008214

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(oxo-phenyl-BLAHyl)-N-[(1S)-1-phenylethyl]acetamide 2-(oxo-phenyl-BLAHyl)-N-[(1S)-1-…

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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)	2.98	11.2	-13.23	1	7	0	82	431.521	5	↓ MOL2 SDF SMILES Flexibase

14008215

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(oxo-phenyl-BLAHyl)-N-[(1R)-1-phenylethyl]acetamide 2-(oxo-phenyl-BLAHyl)-N-[(1R)-1-…

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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)	2.98	11.2	-13.22	1	7	0	82	431.521	5	↓ MOL2 SDF SMILES Flexibase

14008217

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(oxo-phenyl-BLAHyl)-N-[(1S)-1-phenylethyl]acetamide 2-(oxo-phenyl-BLAHyl)-N-[(1S)-1-…

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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)	2.98	11.2	-12.68	1	7	0	82	431.521	5	↓ MOL2 SDF SMILES Flexibase

14008220

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-chlorophenyl)methyl]-2-(oxo-phenyl-BLAHyl)acetamide N-[(4-chlorophenyl)methyl]-2-(ox…

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Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.10	10.88	-13.42	1	7	0	82	451.939	5	↓ MOL2 SDF SMILES Flexibase

14008221

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-chlorophenyl)methyl]-2-(oxo-phenyl-BLAHyl)acetamide N-[(4-chlorophenyl)methyl]-2-(ox…

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Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.10	10.9	-13.78	1	7	0	82	451.939	5	↓ MOL2 SDF SMILES Flexibase

14008474

Analogs

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Popular Name: N-[(2,6-difluorophenyl)methyl]-2-(oxo-phenyl-BLAHyl)acetamide N-[(2,6-difluorophenyl)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)	2.65	10.39	-14.32	1	7	0	82	453.474	5	↓ MOL2 SDF SMILES Flexibase

14008476

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2,6-difluorophenyl)methyl]-2-(oxo-phenyl-BLAHyl)acetamide N-[(2,6-difluorophenyl)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)	2.65	10.42	-14.88	1	7	0	82	453.474	5	↓ MOL2 SDF SMILES Flexibase

14010003

Analogs

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Popular Name: N-benzyl-2-(m-tolyl-oxo-BLAHyl)acetamide N-benzyl-2-(m-tolyl-oxo-BLAHyl)a…

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Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.05	11.03	-13.28	1	7	0	82	431.521	5	↓ MOL2 SDF SMILES Flexibase

14010006

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-2-(m-tolyl-oxo-BLAHyl)acetamide N-benzyl-2-(m-tolyl-oxo-BLAHyl)a…

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Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.05	11.02	-12.81	1	7	0	82	431.521	5	↓ MOL2 SDF SMILES Flexibase

14010009

Analogs

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Popular Name: N-[(2-chlorophenyl)methyl]-2-(m-tolyl-oxo-BLAHyl)acetamide N-[(2-chlorophenyl)methyl]-2-(m-…

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Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.68	11.46	-13.83	1	7	0	82	465.966	5	↓ MOL2 SDF SMILES Flexibase

14010012

Analogs

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Popular Name: N-[(2-chlorophenyl)methyl]-2-(m-tolyl-oxo-BLAHyl)acetamide N-[(2-chlorophenyl)methyl]-2-(m-…

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Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.68	11.44	-13.96	1	7	0	82	465.966	5	↓ MOL2 SDF SMILES Flexibase

14010015

Analogs

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Popular Name: N-[(4-fluorophenyl)methyl]-2-(m-tolyl-oxo-BLAHyl)acetamide N-[(4-fluorophenyl)methyl]-2-(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)	3.22	11.1	-14.29	1	7	0	82	449.511	5	↓ MOL2 SDF SMILES Flexibase

14010017

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-fluorophenyl)methyl]-2-(m-tolyl-oxo-BLAHyl)acetamide N-[(4-fluorophenyl)methyl]-2-(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)	3.22	11.09	-14	1	7	0	82	449.511	5	↓ MOL2 SDF SMILES Flexibase

14010019

Analogs

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Popular Name: N-[(4-methoxyphenyl)methyl]-2-(m-tolyl-oxo-BLAHyl)acetamide N-[(4-methoxyphenyl)methyl]-2-(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)	3.11	10.32	-14.48	1	8	0	91	461.547	6	↓ MOL2 SDF SMILES Flexibase

14010022

Analogs

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Popular Name: N-[(4-methoxyphenyl)methyl]-2-(m-tolyl-oxo-BLAHyl)acetamide N-[(4-methoxyphenyl)methyl]-2-(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)	3.11	10.32	-14.17	1	8	0	91	461.547	6	↓ MOL2 SDF SMILES Flexibase

14010025

Analogs

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Popular Name: N-[(2-methoxyphenyl)methyl]-2-(m-tolyl-oxo-BLAHyl)acetamide N-[(2-methoxyphenyl)methyl]-2-(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)	3.06	10.35	-14.27	1	8	0	91	461.547	6	↓ MOL2 SDF SMILES Flexibase

14010029

Analogs

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Popular Name: N-[(2-methoxyphenyl)methyl]-2-(m-tolyl-oxo-BLAHyl)acetamide N-[(2-methoxyphenyl)methyl]-2-(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)	3.06	10.37	-14	1	8	0	91	461.547	6	↓ MOL2 SDF SMILES Flexibase

14010033

Analogs

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Popular Name: 2-(m-tolyl-oxo-BLAHyl)-N-(p-tolylmethyl)acetamide 2-(m-tolyl-oxo-BLAHyl)-N-(p-toly…

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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)	3.50	11.69	-12.86	1	7	0	82	445.548	5	↓ MOL2 SDF SMILES Flexibase

14010036

Analogs

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Popular Name: 2-(m-tolyl-oxo-BLAHyl)-N-(p-tolylmethyl)acetamide 2-(m-tolyl-oxo-BLAHyl)-N-(p-toly…

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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)	3.50	11.7	-12.84	1	7	0	82	445.548	5	↓ MOL2 SDF SMILES Flexibase

14010045

Analogs

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Popular Name: 2-(m-tolyl-oxo-BLAHyl)-N-[(1R)-1-phenylethyl]acetamide 2-(m-tolyl-oxo-BLAHyl)-N-[(1R)-1…

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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	11.88	-13.2	1	7	0	82	445.548	5	↓ MOL2 SDF SMILES Flexibase

14010048

Analogs

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Popular Name: 2-(m-tolyl-oxo-BLAHyl)-N-[(1S)-1-phenylethyl]acetamide 2-(m-tolyl-oxo-BLAHyl)-N-[(1S)-1…

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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	11.88	-13.2	1	7	0	82	445.548	5	↓ MOL2 SDF SMILES Flexibase

14010051

Analogs

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Popular Name: 2-(m-tolyl-oxo-BLAHyl)-N-[(1R)-1-phenylethyl]acetamide 2-(m-tolyl-oxo-BLAHyl)-N-[(1R)-1…

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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	11.88	-13.71	1	7	0	82	445.548	5	↓ MOL2 SDF SMILES Flexibase

14010054

Analogs

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Popular Name: 2-(m-tolyl-oxo-BLAHyl)-N-[(1S)-1-phenylethyl]acetamide 2-(m-tolyl-oxo-BLAHyl)-N-[(1S)-1…

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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	11.87	-12.71	1	7	0	82	445.548	5	↓ MOL2 SDF SMILES Flexibase

14010065

Analogs

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Popular Name: N-[(4-chlorophenyl)methyl]-2-(m-tolyl-oxo-BLAHyl)acetamide N-[(4-chlorophenyl)methyl]-2-(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)	3.73	11.55	-13.77	1	7	0	82	465.966	5	↓ MOL2 SDF SMILES Flexibase

14010069

Analogs

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Popular Name: N-[(4-chlorophenyl)methyl]-2-(m-tolyl-oxo-BLAHyl)acetamide N-[(4-chlorophenyl)methyl]-2-(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)	3.73	11.54	-13.39	1	7	0	82	465.966	5	↓ MOL2 SDF SMILES Flexibase

14010559

Analogs

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Popular Name: N-[(3-methoxyphenyl)methyl]-2-(m-tolyl-oxo-BLAHyl)acetamide N-[(3-methoxyphenyl)methyl]-2-(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)	3.09	10.33	-13.93	1	8	0	91	461.547	6	↓ MOL2 SDF SMILES Flexibase

14010563

Analogs

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Popular Name: N-[(3-methoxyphenyl)methyl]-2-(m-tolyl-oxo-BLAHyl)acetamide N-[(3-methoxyphenyl)methyl]-2-(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)	3.09	10.33	-15.17	1	8	0	91	461.547	6	↓ MOL2 SDF SMILES Flexibase

14010573

Analogs

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Popular Name: N-[(2,6-difluorophenyl)methyl]-2-(m-tolyl-oxo-BLAHyl)acetamide N-[(2,6-difluorophenyl)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)	3.29	11.07	-14.82	1	7	0	82	467.501	5	↓ MOL2 SDF SMILES Flexibase

14010575

Analogs

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Popular Name: N-[(2,6-difluorophenyl)methyl]-2-(m-tolyl-oxo-BLAHyl)acetamide N-[(2,6-difluorophenyl)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)	3.29	11.06	-14.36	1	7	0	82	467.501	5	↓ MOL2 SDF SMILES Flexibase

14010968

Analogs

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Popular Name: N-benzyl-2-[(3-chlorophenyl)-oxo-BLAHyl]acetamide N-benzyl-2-[(3-chlorophenyl)-oxo…

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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	10.9	-12.61	1	7	0	82	451.939	5	↓ MOL2 SDF SMILES Flexibase

14010971

Analogs

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Popular Name: N-benzyl-2-[(3-chlorophenyl)-oxo-BLAHyl]acetamide N-benzyl-2-[(3-chlorophenyl)-oxo…

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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	10.86	-12.24	1	7	0	82	451.939	5	↓ MOL2 SDF SMILES Flexibase

14010974

Analogs

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Popular Name: N-[(2-chlorophenyl)methyl]-2-[(3-chlorophenyl)-oxo-BLAHyl]acetamide N-[(2-chlorophenyl)methyl]-2-[(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)	3.91	11.31	-13.05	1	7	0	82	486.384	5	↓ MOL2 SDF SMILES Flexibase

14010978

Analogs

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Popular Name: N-[(2-chlorophenyl)methyl]-2-[(3-chlorophenyl)-oxo-BLAHyl]acetamide N-[(2-chlorophenyl)methyl]-2-[(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)	3.91	11.29	-13.37	1	7	0	82	486.384	5	↓ MOL2 SDF SMILES Flexibase

14010981

Analogs

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Popular Name: 2-[(3-chlorophenyl)-oxo-BLAHyl]-N-[(4-fluorophenyl)methyl]acetamide 2-[(3-chlorophenyl)-oxo-BLAHyl]-…

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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)	3.45	10.94	-13.48	1	7	0	82	469.929	5	↓ MOL2 SDF SMILES Flexibase

14010984

Analogs

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Popular Name: 2-[(3-chlorophenyl)-oxo-BLAHyl]-N-[(4-fluorophenyl)methyl]acetamide 2-[(3-chlorophenyl)-oxo-BLAHyl]-…

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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)	3.45	10.96	-13.69	1	7	0	82	469.929	5	↓ 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 = 97585 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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