ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

66202518

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (4-methoxyphenoxy)-, [(1E)-1-methyl-2,2-diphenylethylidene]hydrazide acetic acid, (4-methoxyphenoxy)-…

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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	11.63	-18.06	1	5	0	60	388.467	8	↓ MOL2 SDF SMILES Flexibase

66202519

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (4-chloro-3-methylphenoxy)-, [(1E)-1-methyl-2,2-diphenylethylidene]hydrazide acetic acid, (4-chloro-3-methylp…

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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)	5.63	13.4	-16.97	1	4	0	51	406.913	7	↓ MOL2 SDF SMILES Flexibase

66202520

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (4-chloro-3,5-dimethylphenoxy)-, [(1E)-1-methyl-2,2-diphenylethylidene]hydrazide acetic acid, (4-chloro-3,5-dimet…

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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)	6.01	13.97	-17.06	1	4	0	51	420.94	7	↓ MOL2 SDF SMILES Flexibase

66202522

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, [2-(1-methylethyl)phenoxy]-, [(1E)-1-methyl-2,2-diphenylethylidene]hydrazide acetic acid, [2-(1-methylethyl)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)	5.57	14.27	-17.1	1	4	0	51	400.522	8	↓ MOL2 SDF SMILES Flexibase

66202523

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, [2-(1-methylpropyl)phenoxy]-, [(1E)-1-methyl-2,2-diphenylethylidene]hydrazide acetic acid, [2-(1-methylpropyl)…

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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)	5.91	14.97	-17.03	1	4	0	51	414.549	9	↓ MOL2 SDF SMILES Flexibase

66202524

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, [2-(1-methylpropyl)phenoxy]-, [(1E)-1-methyl-2,2-diphenylethylidene]hydrazide acetic acid, [2-(1-methylpropyl)…

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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)	5.91	14.97	-17.02	1	4	0	51	414.549	9	↓ MOL2 SDF SMILES Flexibase

66202525

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (2,4-dimethylphenoxy)-, [(1E)-1-methyl-2,2-diphenylethylidene]hydrazide acetic acid, (2,4-dimethylphenox…

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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)	5.40	13.68	-17.1	1	4	0	51	386.495	7	↓ MOL2 SDF SMILES Flexibase

66202526

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (3,5-dimethylphenoxy)-, [(1E)-1-methyl-2,2-diphenylethylidene]hydrazide acetic acid, (3,5-dimethylphenox…

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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)	5.40	13.68	-17.56	1	4	0	51	386.495	7	↓ MOL2 SDF SMILES Flexibase

66202527

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, [4-(1-methylethyl)phenoxy]-, [(1E)-1-methyl-2,2-diphenylethylidene]hydrazide acetic acid, [4-(1-methylethyl)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)	6.09	14.23	-17	1	4	0	51	400.522	8	↓ MOL2 SDF SMILES Flexibase

66202528

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (2,6-dimethylphenoxy)-, [(1E)-1-methyl-2,2-diphenylethylidene]hydrazide acetic acid, (2,6-dimethylphenox…

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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)	5.38	13.72	-15.92	1	4	0	51	386.495	7	↓ MOL2 SDF SMILES Flexibase

66202533

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, phenoxy-, [(1E)-1-methyl-2,2-diphenylethylidene]hydrazide acetic acid, phenoxy-, [(1E)-1-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)	4.58	12.3	-17.47	1	4	0	51	358.441	7	↓ MOL2 SDF SMILES Flexibase

66202543

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (2,4-dichlorophenoxy)-, [(1E)-1-methyl-2,2-diphenylethylidene]hydrazide acetic acid, (2,4-dichlorophenox…

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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)	5.86	13.4	-18.85	1	4	0	51	427.331	7	↓ MOL2 SDF SMILES Flexibase

66202545

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (4-chlorophenoxy)-, [(1E)-1-methyl-2,2-diphenylethylidene]hydrazide acetic acid, (4-chlorophenoxy)-,…

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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)	5.25	12.87	-16.86	1	4	0	51	392.886	7	↓ MOL2 SDF SMILES Flexibase

66202562

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (2-methylphenoxy)-, [(1E)-1-methyl-2,2-diphenylethylidene]hydrazide acetic acid, (2-methylphenoxy)-,…

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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)	4.98	13.06	-17.13	1	4	0	51	372.468	7	↓ MOL2 SDF SMILES Flexibase

66202563

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (4-methylphenoxy)-, [(1E)-1-methyl-2,2-diphenylethylidene]hydrazide acetic acid, (4-methylphenoxy)-,…

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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)	5.03	12.97	-17.42	1	4	0	51	372.468	7	↓ MOL2 SDF SMILES Flexibase

66202564

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (3-methylphenoxy)-, [(1E)-1-methyl-2,2-diphenylethylidene]hydrazide acetic acid, (3-methylphenoxy)-,…

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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)	5.00	13.02	-17.63	1	4	0	51	372.468	7	↓ MOL2 SDF SMILES Flexibase

66202566

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (4-chloro-2-methylphenoxy)-, [(1E)-1-methyl-2,2-diphenylethylidene]hydrazide acetic acid, (4-chloro-2-methylp…

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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)	5.63	13.57	-16.59	1	4	0	51	406.913	7	↓ MOL2 SDF SMILES Flexibase

66202571

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: propanoic acid, 2-(2,4-dichlorophenoxy)-, [(1E)-1-methyl-2,2-diphenylethylidene]hydrazide propanoic acid, 2-(2,4-dichlorop…

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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)	6.22	13.95	-18.32	1	4	0	51	441.358	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.41	12.29	-54.1	0	4	-1	57	440.35	7	↓ MOL2 SDF SMILES Flexibase

66202572

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: propanoic acid, 2-(2,4-dichlorophenoxy)-, [(1E)-1-methyl-2,2-diphenylethylidene]hydrazide propanoic acid, 2-(2,4-dichlorop…

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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)	6.22	13.92	-18.41	1	4	0	51	441.358	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.41	12.27	-54.39	0	4	-1	57	440.35	7	↓ MOL2 SDF SMILES Flexibase

66202581

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (2-bromo-4-methylphenoxy)-, [(1E)-1-methyl-2,2-diphenylethylidene]hydrazide acetic acid, (2-bromo-4-methylph…

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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)	5.76	13.61	-19.19	1	4	0	51	451.364	7	↓ MOL2 SDF SMILES Flexibase

66202583

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (4-bromophenoxy)-, [(1E)-1-methyl-2,2-diphenylethylidene]hydrazide acetic acid, (4-bromophenoxy)-, …

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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)	5.38	12.97	-16.81	1	4	0	51	437.337	7	↓ MOL2 SDF SMILES Flexibase

66202584

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (4-nitrophenoxy)-, [(1E)-1-methyl-2,2-diphenylethylidene]hydrazide acetic acid, (4-nitrophenoxy)-, …

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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)	4.54	13.06	-20.55	1	7	0	97	403.438	8	↓ MOL2 SDF SMILES Flexibase

66202585

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (2,4-dibromophenoxy)-, [(1E)-1-methyl-2,2-diphenylethylidene]hydrazide acetic acid, (2,4-dibromophenoxy…

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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)	6.12	13.61	-18.57	1	4	0	51	516.233	7	↓ MOL2 SDF SMILES Flexibase

66202586

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (2-methoxyphenoxy)-, [(1E)-1-methyl-2,2-diphenylethylidene]hydrazide acetic acid, (2-methoxyphenoxy)-…

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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)	4.19	12.1	-21.2	1	5	0	60	388.467	8	↓ MOL2 SDF SMILES Flexibase

66202588

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (4-bromo-3-methylphenoxy)-, [(1E)-1-methyl-2,2-diphenylethylidene]hydrazide acetic acid, (4-bromo-3-methylph…

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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)	5.76	13.49	-16.92	1	4	0	51	451.364	7	↓ MOL2 SDF SMILES Flexibase

66202592

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, [5-methyl-2-(1-methylethyl)phenoxy]-, [(1E)-1-methyl-2,2-diphenylethylidene]hydrazide acetic acid, [5-methyl-2-(1-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.99	14.99	-16.92	1	4	0	51	414.549	8	↓ MOL2 SDF SMILES Flexibase

66202596

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (2-chlorophenoxy)-, [(1E)-1-methyl-2,2-diphenylethylidene]hydrazide acetic acid, (2-chlorophenoxy)-,…

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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)	5.21	12.84	-19.67	1	4	0	51	392.886	7	↓ MOL2 SDF SMILES Flexibase

66202597

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (4-ethylphenoxy)-, [(1E)-1-methyl-2,2-diphenylethylidene]hydrazide acetic acid, (4-ethylphenoxy)-, …

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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)	5.49	13.79	-17.24	1	4	0	51	386.495	8	↓ MOL2 SDF SMILES Flexibase

66202600

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (4-bromo-2-methylphenoxy)-, [(1E)-1-methyl-2,2-diphenylethylidene]hydrazide acetic acid, (4-bromo-2-methylph…

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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)	5.76	13.68	-16.55	1	4	0	51	451.364	7	↓ MOL2 SDF SMILES Flexibase

66202603

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (2-bromo-4-ethylphenoxy)-, [(1E)-1-methyl-2,2-diphenylethylidene]hydrazide acetic acid, (2-bromo-4-ethylphe…

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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)	6.23	14.43	-18.98	1	4	0	51	465.391	8	↓ MOL2 SDF SMILES Flexibase

66202604

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (4-bromo-2-chlorophenoxy)-, [(1E)-1-methyl-2,2-diphenylethylidene]hydrazide acetic acid, (4-bromo-2-chloroph…

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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)	5.99	13.5	-18.76	1	4	0	51	471.782	7	↓ MOL2 SDF SMILES Flexibase

66202607

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, [2-bromo-4-(1-methylethyl)phenoxy]-, [(1E)-1-methyl-2,2-diphenylethylidene]hydrazide acetic acid, [2-bromo-4-(1-methy…

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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)	6.83	14.87	-18.74	1	4	0	51	479.418	8	↓ MOL2 SDF SMILES Flexibase

66202608

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, [2-bromo-4-(1,1-dimethylethyl)phenoxy]-, [(1E)-1-methyl-2,2-diphenylethylidene]hydrazide acetic acid, [2-bromo-4-(1,1-dim…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	7.02	15.31	-18.75	1	4	0	51	493.445	8	↓ MOL2 SDF SMILES Flexibase

66202611

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, [4-(1-methylpropyl)phenoxy]-, [(1E)-1-methyl-2,2-diphenylethylidene]hydrazide acetic acid, [4-(1-methylpropyl)…

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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)	6.43	14.93	-16.94	1	4	0	51	414.549	9	↓ MOL2 SDF SMILES Flexibase

66202612

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Popular Name: acetic acid, [4-(1-methylpropyl)phenoxy]-, [(1E)-1-methyl-2,2-diphenylethylidene]hydrazide acetic acid, [4-(1-methylpropyl)…

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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)	6.43	14.93	-16.95	1	4	0	51	414.549	9	↓ MOL2 SDF SMILES Flexibase

66202614

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Popular Name: acetic acid, (2-bromo-4-chlorophenoxy)-, [(1E)-1-methyl-2,2-diphenylethylidene]hydrazide acetic acid, (2-bromo-4-chloroph…

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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)	5.99	13.51	-18.7	1	4	0	51	471.782	7	↓ MOL2 SDF SMILES Flexibase

66202619

Analogs

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Popular Name: benzoic acid, 4-[2-[(2E)-2-(1-methyl-2,2-diphenylethylidene)hydrazino]-2-oxoethoxy]-, propyl ester benzoic acid, 4-[2-[(2E)-2-(1-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)	5.63	14.69	-19.01	1	6	0	77	444.531	11	↓ MOL2 SDF SMILES Flexibase

66202625

Analogs

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Popular Name: benzoic acid, 4-[2-[(2E)-2-(1-methyl-2,2-diphenylethylidene)hydrazino]-2-oxoethoxy]-, ethyl ester benzoic acid, 4-[2-[(2E)-2-(1-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)	5.12	13.89	-19.2	1	6	0	77	430.504	10	↓ MOL2 SDF SMILES Flexibase

66202632

Analogs

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Popular Name: acetic acid, (2,3-dimethylphenoxy)-, [(1E)-1-methyl-2,2-diphenylethylidene]hydrazide acetic acid, (2,3-dimethylphenox…

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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)	5.38	13.57	-17.24	1	4	0	51	386.495	7	↓ MOL2 SDF SMILES Flexibase

66202636

Analogs

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Popular Name: propanoic acid, 2-(3,4-dimethylphenoxy)-, [(1E)-1-methyl-2,2-diphenylethylidene]hydrazide propanoic acid, 2-(3,4-dimethylp…

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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)	5.76	14.11	-17.51	1	4	0	51	400.522	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.95	12.44	-59.04	0	4	-1	57	399.514	7	↓ MOL2 SDF SMILES Flexibase

66202637

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: propanoic acid, 2-(3,4-dimethylphenoxy)-, [(1E)-1-methyl-2,2-diphenylethylidene]hydrazide propanoic acid, 2-(3,4-dimethylp…

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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)	5.76	14.11	-17.62	1	4	0	51	400.522	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.95	12.5	-58.42	0	4	-1	57	399.514	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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