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ZINC Item

Suppliers, Protomers, & Similar Substances

10505778

Analogs

10505843

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (4-methoxyphenoxy)-, 2-[[(3,5-dichlorobenzoyl)amino]thioxomethyl]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)	3.43	-3.84	-27.04	3	7	0	88	428.297	8	↓ MOL2 SDF SMILES Flexibase

10505780

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (4-chloro-3-methylphenoxy)-, 2-[[(3,5-dichlorobenzoyl)amino]thioxomethyl]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)	4.42	-3.68	-25.93	3	6	0	79	446.743	7	↓ MOL2 SDF SMILES Flexibase

10505786

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (4-chloro-3,5-dimethylphenoxy)-, 2-[[(3,5-dichlorobenzoyl)amino]thioxomethyl]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)	4.80	-3.36	-25.94	3	6	0	79	460.77	7	↓ MOL2 SDF SMILES Flexibase

10505794

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, [2-(1-methylethyl)phenoxy]-, 2-[[(3,5-dichlorobenzoyl)amino]thioxomethyl]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)	4.36	-2.94	-24.78	3	6	0	79	440.352	8	↓ MOL2 SDF SMILES Flexibase

10505799

Analogs

10505805

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, [2-(1-methylpropyl)phenoxy]-, 2-[[(3,5-dichlorobenzoyl)amino]thioxomethyl]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)	4.70	-2.78	-24.72	3	6	0	79	454.379	9	↓ MOL2 SDF SMILES Flexibase

10505805

Analogs

10505799

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, [2-(1-methylpropyl)phenoxy]-, 2-[[(3,5-dichlorobenzoyl)amino]thioxomethyl]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)	4.70	-2.78	-24.71	3	6	0	79	454.379	9	↓ MOL2 SDF SMILES Flexibase

10505809

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (2,4-dimethylphenoxy)-, 2-[[(3,5-dichlorobenzoyl)amino]thioxomethyl]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)	4.19	-3.13	-24.86	3	6	0	79	426.325	7	↓ MOL2 SDF SMILES Flexibase

10505815

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (3,5-dimethylphenoxy)-, 2-[[(3,5-dichlorobenzoyl)amino]thioxomethyl]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)	4.19	-3.19	-25.24	3	6	0	79	426.325	7	↓ MOL2 SDF SMILES Flexibase

10505819

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, [4-(1-methylethyl)phenoxy]-, 2-[[(3,5-dichlorobenzoyl)amino]thioxomethyl]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)	4.88	-3.04	-24.92	3	6	0	79	440.352	8	↓ MOL2 SDF SMILES Flexibase

10505822

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (2,6-dimethylphenoxy)-, 2-[[(3,5-dichlorobenzoyl)amino]thioxomethyl]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)	4.17	-3.01	-22.56	3	6	0	79	426.325	7	↓ MOL2 SDF SMILES Flexibase

10505843

Analogs

10505778

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, phenoxy-, 2-[[(3,5-dichlorobenzoyl)amino]thioxomethyl]hydrazide acetic acid, phenoxy-, 2-[[(3,5-…

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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)	3.37	-3.84	-25.31	3	6	0	79	398.271	7	↓ MOL2 SDF SMILES Flexibase

10505875

Analogs

14005213

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (2,4-dichlorophenoxy)-, 2-[[(3,5-dichlorobenzoyl)amino]thioxomethyl]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)	4.65	-4.09	-28.61	3	6	0	79	467.161	7	↓ MOL2 SDF SMILES Flexibase

10505885

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (4-chlorophenoxy)-, 2-[[(3,5-dichlorobenzoyl)amino]thioxomethyl]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)	4.05	-3.99	-25.97	3	6	0	79	432.716	7	↓ MOL2 SDF SMILES Flexibase

10505912

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (2-methylphenoxy)-, 2-[[(3,5-dichlorobenzoyl)amino]thioxomethyl]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)	3.77	-3.45	-24.96	3	6	0	79	412.298	7	↓ MOL2 SDF SMILES Flexibase

10505913

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (4-methylphenoxy)-, 2-[[(3,5-dichlorobenzoyl)amino]thioxomethyl]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)	3.82	-3.52	-25.23	3	6	0	79	412.298	7	↓ MOL2 SDF SMILES Flexibase

10505917

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (3-methylphenoxy)-, 2-[[(3,5-dichlorobenzoyl)amino]thioxomethyl]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)	3.79	-3.52	-25.41	3	6	0	79	412.298	7	↓ MOL2 SDF SMILES Flexibase

10505936

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (4-chloro-2-methylphenoxy)-, 2-[[(3,5-dichlorobenzoyl)amino]thioxomethyl]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)	4.42	-3.6	-25.64	3	6	0	79	446.743	7	↓ MOL2 SDF SMILES Flexibase

10505951

Analogs

10505956
14005253
14005255

Draw Identity 99% 90% 80% 70%

Popular Name: propanoic acid, 2-(2,4-dichlorophenoxy)-, 2-[[(3,5-dichlorobenzoyl)amino]thioxomethyl]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)	5.01	-3.77	-27.12	3	6	0	79	481.188	7	↓ MOL2 SDF SMILES Flexibase

10505956

Analogs

14005253
14005255
10505951

Draw Identity 99% 90% 80% 70%

Popular Name: propanoic acid, 2-(2,4-dichlorophenoxy)-, 2-[[(3,5-dichlorobenzoyl)amino]thioxomethyl]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)	5.01	-3.77	-27.09	3	6	0	79	481.188	7	↓ MOL2 SDF SMILES Flexibase

10505989

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (2-bromo-4-methylphenoxy)-, 2-[[(3,5-dichlorobenzoyl)amino]thioxomethyl]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)	4.55	-4.21	-27.76	3	6	0	79	491.194	7	↓ MOL2 SDF SMILES Flexibase

10505992

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (4-bromophenoxy)-, 2-[[(3,5-dichlorobenzoyl)amino]thioxomethyl]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)	4.18	-4.6	-25.93	3	6	0	79	477.167	7	↓ MOL2 SDF SMILES Flexibase

10506001

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (4-nitrophenoxy)-, 2-[[(3,5-dichlorobenzoyl)amino]thioxomethyl]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)	3.33	9.42	-31.66	3	9	0	125	443.268	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.37	9.25	-60.85	2	9	-1	126	442.26	7	↓ MOL2 SDF SMILES Flexibase

10506010

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (2-methoxyphenoxy)-, 2-[[(3,5-dichlorobenzoyl)amino]thioxomethyl]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)	2.98	-3.59	-28.51	3	7	0	88	428.297	8	↓ MOL2 SDF SMILES Flexibase

10506018

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (4-bromo-3-methylphenoxy)-, 2-[[(3,5-dichlorobenzoyl)amino]thioxomethyl]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)	4.55	-4.25	-25.88	3	6	0	79	491.194	7	↓ MOL2 SDF SMILES Flexibase

10506036

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, [5-methyl-2-(1-methylethyl)phenoxy]-, 2-[[(3,5-dichlorobenzoyl)amino]thioxomethyl]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)	4.78	-2.62	-24.5	3	6	0	79	454.379	8	↓ MOL2 SDF SMILES Flexibase

10506047

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (2-chlorophenoxy)-, 2-[[(3,5-dichlorobenzoyl)amino]thioxomethyl]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)	4.00	-3.94	-28.08	3	6	0	79	432.716	7	↓ MOL2 SDF SMILES Flexibase

10506051

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (4-ethylphenoxy)-, 2-[[(3,5-dichlorobenzoyl)amino]thioxomethyl]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)	4.28	-3.36	-25.01	3	6	0	79	426.325	8	↓ MOL2 SDF SMILES Flexibase

10506058

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (4-bromo-2-methylphenoxy)-, 2-[[(3,5-dichlorobenzoyl)amino]thioxomethyl]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)	4.55	-4.21	-25.64	3	6	0	79	491.194	7	↓ MOL2 SDF SMILES Flexibase

10506069

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (2-bromo-4-ethylphenoxy)-, 2-[[(3,5-dichlorobenzoyl)amino]thioxomethyl]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)	5.02	-4.06	-27.6	3	6	0	79	505.221	8	↓ MOL2 SDF SMILES Flexibase

10506091

Analogs

10506094

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, [4-(1-methylpropyl)phenoxy]-, 2-[[(3,5-dichlorobenzoyl)amino]thioxomethyl]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)	5.22	-2.88	-24.87	3	6	0	79	454.379	9	↓ MOL2 SDF SMILES Flexibase

10506094

Analogs

10506091

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, [4-(1-methylpropyl)phenoxy]-, 2-[[(3,5-dichlorobenzoyl)amino]thioxomethyl]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)	5.22	-2.88	-24.88	3	6	0	79	454.379	9	↓ MOL2 SDF SMILES Flexibase

10506120

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzoic acid, 4-[2-[2-[[(3,5-dichlorobenzoyl)amino]thioxomethyl]hydrazino]-2-oxoethoxy]-, propyl ester benzoic acid, 4-[2-[2-[[(3,5-dic…

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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)	4.42	-2.65	-30.42	3	8	0	105	484.361	11	↓ MOL2 SDF SMILES Flexibase

10506147

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzoic acid, 4-[2-[2-[[(3,5-dichlorobenzoyl)amino]thioxomethyl]hydrazino]-2-oxoethoxy]-, ethyl ester benzoic acid, 4-[2-[2-[[(3,5-dic…

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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)	3.92	-2.72	-30.6	3	8	0	105	470.334	10	↓ MOL2 SDF SMILES Flexibase

10506180

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (2,3-dimethylphenoxy)-, 2-[[(3,5-dichlorobenzoyl)amino]thioxomethyl]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)	4.17	-3.23	-25.01	3	6	0	79	426.325	7	↓ MOL2 SDF SMILES Flexibase

12403206

Analogs

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Popular Name: N-({2-[(4-chloro-3-methylphenoxy)acetyl]hydrazino}carbonothioyl)-2-methoxybenzamide N-({2-[(4-chloro-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)	3.70	-2.72	-31.62	3	7	0	89	407.879	8	↓ MOL2 SDF SMILES Flexibase

12403207

Analogs

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Popular Name: N-({2-[(4-chloro-3,5-dimethylphenoxy)acetyl]hydrazino}carbonothioyl)-2-methoxybenzamide N-({2-[(4-chloro-3,5-dimethylphe…

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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)	4.07	-2.41	-31.64	3	7	0	89	421.906	8	↓ MOL2 SDF SMILES Flexibase

12403209

Analogs

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Popular Name: N-({2-[(2-isopropylphenoxy)acetyl]hydrazino}carbonothioyl)-2-methoxybenzamide N-({2-[(2-isopropylphenoxy)acety…

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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	-1.99	-30.54	3	7	0	89	401.488	9	↓ MOL2 SDF SMILES Flexibase

12403210

Analogs

12403211

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Popular Name: N-({2-[(2-sec-butylphenoxy)acetyl]hydrazino}carbonothioyl)-2-methoxybenzamide N-({2-[(2-sec-butylphenoxy)acety…

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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	-1.82	-30.39	3	7	0	89	415.515	10	↓ MOL2 SDF SMILES Flexibase

12403211

Analogs

12403210

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Popular Name: N-({2-[(2-sec-butylphenoxy)acetyl]hydrazino}carbonothioyl)-2-methoxybenzamide N-({2-[(2-sec-butylphenoxy)acety…

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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	-1.82	-30.4	3	7	0	89	415.515	10	↓ MOL2 SDF SMILES Flexibase

12403212

Analogs

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Popular Name: N-({2-[(2,4-dimethylphenoxy)acetyl]hydrazino}carbonothioyl)-2-methoxybenzamide N-({2-[(2,4-dimethylphenoxy)acet…

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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)	3.47	-2.18	-30.65	3	7	0	89	387.461	8	↓ MOL2 SDF SMILES Flexibase

12403213

Analogs

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Popular Name: N-({2-[(3,5-dimethylphenoxy)acetyl]hydrazino}carbonothioyl)-2-methoxybenzamide N-({2-[(3,5-dimethylphenoxy)acet…

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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)	3.47	-2.24	-31.04	3	7	0	89	387.461	8	↓ MOL2 SDF SMILES Flexibase

12403214

Analogs

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Popular Name: N-({2-[(4-isopropylphenoxy)acetyl]hydrazino}carbonothioyl)-2-methoxybenzamide N-({2-[(4-isopropylphenoxy)acety…

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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)	4.15	-2.09	-30.69	3	7	0	89	401.488	9	↓ MOL2 SDF SMILES Flexibase

12403215

Analogs

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Popular Name: N-({2-[(2,6-dimethylphenoxy)acetyl]hydrazino}carbonothioyl)-2-methoxybenzamide N-({2-[(2,6-dimethylphenoxy)acet…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.44	-2.06	-28.19	3	7	0	89	387.461	8	↓ MOL2 SDF SMILES Flexibase

12403219

Analogs

6296519

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Popular Name: 2-methoxy-N-{[2-(phenoxyacetyl)hydrazino]carbonothioyl}benzamide 2-methoxy-N-{[2-(phenoxyacetyl)h…

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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)	2.64	-2.89	-31.06	3	7	0	89	359.407	8	↓ MOL2 SDF SMILES Flexibase

12403225

Analogs

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Popular Name: N-({2-[(2,4-dichlorophenoxy)acetyl]hydrazino}carbonothioyl)-2-methoxybenzamide N-({2-[(2,4-dichlorophenoxy)acet…

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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	-3.14	-34.34	3	7	0	89	428.297	8	↓ MOL2 SDF SMILES Flexibase

12403226

Analogs

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Popular Name: N-({2-[(4-chlorophenoxy)acetyl]hydrazino}carbonothioyl)-2-methoxybenzamide N-({2-[(4-chlorophenoxy)acetyl]h…

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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)	3.32	-3.04	-31.69	3	7	0	89	393.852	8	↓ MOL2 SDF SMILES Flexibase

12403235

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-({2-[(2-methylphenoxy)acetyl]hydrazino}carbonothioyl)benzamide 2-methoxy-N-({2-[(2-methylphenox…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.04	-2.5	-30.72	3	7	0	89	373.434	8	↓ MOL2 SDF SMILES Flexibase

12403236

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-({2-[(4-methylphenoxy)acetyl]hydrazino}carbonothioyl)benzamide 2-methoxy-N-({2-[(4-methylphenox…

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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	-2.56	-30.99	3	7	0	89	373.434	8	↓ MOL2 SDF SMILES Flexibase

12403237

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-({2-[(3-methylphenoxy)acetyl]hydrazino}carbonothioyl)benzamide 2-methoxy-N-({2-[(3-methylphenox…

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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)	3.07	-2.56	-31.15	3	7	0	89	373.434	8	↓ MOL2 SDF SMILES Flexibase

12403239

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-({2-[(4-chloro-2-methylphenoxy)acetyl]hydrazino}carbonothioyl)-2-methoxybenzamide N-({2-[(4-chloro-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)	3.70	-2.65	-31.37	3	7	0	89	407.879	8	↓ MOL2 SDF SMILES Flexibase

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Structural Results Found: (before additional filtering)

SQL Query Was

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