ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

5562443

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-allyl-2-hydroxy-indol-3-yl)imino-2-(2-phenylacetyl)amino-acetamide N-(1-allyl-2-hydroxy-indol-3-yl)…

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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)	2.24	7.33	-15.31	2	7	0	93	376.416	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.16	5.81	-54.48	1	7	-1	99	375.408	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.15	4.88	-50.13	1	7	-1	99	375.408	7	↓ MOL2 SDF SMILES Flexibase

5562447

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-allyl-2-hydroxy-indol-3-yl)azocarbonylmethyl]-4-fluoro-benzamide N-[(1-allyl-2-hydroxy-indol-3-yl…

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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)	2.32	6.71	-13.56	2	7	0	93	380.379	6	↓ MOL2 SDF SMILES Flexibase

5562452

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-allyl-2-hydroxy-indol-3-yl)azocarbonylmethyl]thiophene-2-carboxamide N-[(1-allyl-2-hydroxy-indol-3-yl…

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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)	2.05	5.62	-14.28	2	7	0	93	368.418	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.96	4.1	-53.95	1	7	-1	99	367.41	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.96	3.17	-49.89	1	7	-1	99	367.41	6	↓ MOL2 SDF SMILES Flexibase

5562722

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(2-hydroxy-1H-indol-3-yl)azo]-4-oxo-thiazol-5-yl]ethyl 2-[2-[(2-hydroxy-1H-indol-3-yl)a…

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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)	1.25	4.91	-17.96	2	8	0	113	346.368	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.07	4.05	-21.32	2	8	0	113	346.368	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.71	2.92	-58.98	1	8	-1	116	345.36	5	↓ MOL2 SDF SMILES Flexibase

5563656

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-hydroxy-1-isopropyl-indol-3-yl)imino-2-[2-(4-methoxyphenyl)acetyl]amino-acetamide N-(2-hydroxy-1-isopropyl-indol-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)	2.40	6.57	-16.66	2	8	0	102	408.458	7	↓ MOL2 SDF SMILES Flexibase

5563661

Analogs

3472081

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-hydroxy-1-isopropyl-indol-3-yl)imino-2-(2-phenylacetyl)amino-acetamide N-(2-hydroxy-1-isopropyl-indol-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)	2.34	7.29	-15.04	2	7	0	93	378.432	6	↓ MOL2 SDF SMILES Flexibase

5563667

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-[(2-hydroxy-1-isopropyl-indol-3-yl)azocarbonylmethyl]benzamide 2-fluoro-N-[(2-hydroxy-1-isoprop…

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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)	2.36	6.68	-17.2	2	7	0	93	382.395	5	↓ MOL2 SDF SMILES Flexibase

5563671

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-hydroxy-N-[(2-hydroxy-1-isopropyl-indol-3-yl)azocarbonylmethyl]benzamide 2-hydroxy-N-[(2-hydroxy-1-isopro…

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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)	2.73	5.14	-16.06	3	8	0	113	380.404	5	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	2.73	5.02	-20.67	3	8	0	113	380.404	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.74	6.15	-60.57	2	8	-1	116	379.396	5	↓ MOL2 SDF SMILES Flexibase

5563674

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-hydroxy-1-isopropyl-indol-3-yl)azocarbonylmethyl]thiophene-2-carboxamide N-[(2-hydroxy-1-isopropyl-indol-…

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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)	2.15	5.56	-13.93	2	7	0	93	370.434	5	↓ MOL2 SDF SMILES Flexibase

5563677

Analogs

5745603
6481438
6563682
6563686
6563912

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dimethoxyphenyl)-N-(2-hydroxy-1-isopropyl-indol-3-yl)imino-acetamide 2-(3,4-dimethoxyphenyl)-N-(2-hyd…

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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)	2.88	7.99	-17.51	1	7	0	82	381.432	6	↓ MOL2 SDF SMILES Flexibase

6050849

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-hydroxy-1H-indol-3-yl)imino]heptanamide N-[(2-hydroxy-1H-indol-3-yl)imin…

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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)	3.58	5.33	-18.11	2	5	0	74	273.336	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.03	3.44	-57.75	1	5	-1	77	272.328	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.03	3.71	-44.41	1	5	-1	77	272.328	6	↓ MOL2 SDF SMILES Flexibase

49793212

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3Z)-3-[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]imino-5-chloro-1-(diethylaminomethy (3Z)-3-[4-amino-5-[(3,4,5-trimet…

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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)	4.30	9.44	-22.99	2	10	0	117	539.036	10	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.30	11.89	-55.58	3	10	1	118	540.044	10	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.30	9.93	-40.97	3	10	1	118	540.044	10	↓ MOL2 SDF SMILES Flexibase

9707247

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-methyl-2-oxo-indolin-3-ylidene)aminooxyacetamide 2-(1-methyl-2-oxo-indolin-3-ylid…

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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)	0.30	2.26	-15.41	2	6	0	87	233.227	3	↓ MOL2 SDF SMILES Flexibase

9707248

Analogs

9707250

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-methyl-2-oxo-indolin-3-ylidene)aminooxy-N-phenyl-acetamide 2-(1-methyl-2-oxo-indolin-3-ylid…

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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)	2.37	0.64	-15.49	1	6	0	72	309.325	4	↓ MOL2 SDF SMILES Flexibase

9707249

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-methyl-2-oxo-indolin-3-ylidene)aminooxy-N-(1-naphthyl)acetamide 2-(1-methyl-2-oxo-indolin-3-ylid…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.53	0.97	-16.07	1	6	0	72	359.385	4	↓ MOL2 SDF SMILES Flexibase

9707250

Analogs

9707248

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-methyl-2-oxo-indolin-3-ylidene)aminooxy-N-(o-tolyl)acetamide 2-(1-methyl-2-oxo-indolin-3-ylid…

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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)	2.77	1.17	-15.34	1	6	0	72	323.352	4	↓ MOL2 SDF SMILES Flexibase

9707251

Analogs

9707253
9707254
9707256

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-methyl-2-oxo-indolin-3-ylidene)aminooxy-N-(m-tolyl)acetamide 2-(1-methyl-2-oxo-indolin-3-ylid…

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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)	2.80	0.96	-15.49	1	6	0	72	323.352	4	↓ MOL2 SDF SMILES Flexibase

9707252

Analogs

9707255
9707257
9707258

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-methyl-2-oxo-indolin-3-ylidene)aminooxy-N-(p-tolyl)acetamide 2-(1-methyl-2-oxo-indolin-3-ylid…

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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)	2.82	0.96	-15.48	1	6	0	72	323.352	4	↓ MOL2 SDF SMILES Flexibase

9707253

Analogs

9707251

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dimethylphenyl)-2-(1-methyl-2-oxo-indolin-3-ylidene)aminooxy-acetamide N-(2,3-dimethylphenyl)-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)	3.17	1.4	-15.52	1	6	0	72	337.379	4	↓ MOL2 SDF SMILES Flexibase

9707254

Analogs

9707251

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethylphenyl)-2-(1-methyl-2-oxo-indolin-3-ylidene)aminooxy-acetamide N-(2,5-dimethylphenyl)-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)	3.20	1.5	-15.55	1	6	0	72	337.379	4	↓ MOL2 SDF SMILES Flexibase

9707255

Analogs

9707257
9707258
9707252

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dimethylphenyl)-2-(1-methyl-2-oxo-indolin-3-ylidene)aminooxy-acetamide N-(2,4-dimethylphenyl)-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)	3.20	1.5	-15.42	1	6	0	72	337.379	4	↓ MOL2 SDF SMILES Flexibase

9707256

Analogs

9707251

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dimethylphenyl)-2-(1-methyl-2-oxo-indolin-3-ylidene)aminooxy-acetamide N-(3,5-dimethylphenyl)-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)	3.20	1.28	-15.67	1	6	0	72	337.379	4	↓ MOL2 SDF SMILES Flexibase

9707257

Analogs

9707258
9707252
9707255

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-methyl-2-oxo-indolin-3-ylidene)aminooxy-N-(2,4,6-trimethylphenyl)-acetamide 2-(1-methyl-2-oxo-indolin-3-ylid…

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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	1.79	-14.97	1	6	0	72	351.406	4	↓ MOL2 SDF SMILES Flexibase

9707258

Analogs

9707252
9707255
9707257

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethylphenyl)-2-(1-methyl-2-oxo-indolin-3-ylidene)aminooxy-acetamide N-(4-ethylphenyl)-2-(1-methyl-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.29	1.11	-15.39	1	6	0	72	337.379	5	↓ MOL2 SDF SMILES Flexibase

9707259

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-fluorophenyl)-2-(1-methyl-2-oxo-indolin-3-ylidene)aminooxy-acetamide N-(2-fluorophenyl)-2-(1-methyl-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.49	1.4	-14.16	1	6	0	72	327.315	4	↓ MOL2 SDF SMILES Flexibase

9707260

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-fluorophenyl)-2-(1-methyl-2-oxo-indolin-3-ylidene)aminooxy-acetamide N-(3-fluorophenyl)-2-(1-methyl-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.51	1.38	-17.69	1	6	0	72	327.315	4	↓ MOL2 SDF SMILES Flexibase

9707261

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-2-(1-methyl-2-oxo-indolin-3-ylidene)aminooxy-acetamide N-(4-fluorophenyl)-2-(1-methyl-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.54	1.37	-15.6	1	6	0	72	327.315	4	↓ MOL2 SDF SMILES Flexibase

9707262

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-difluorophenyl)-2-(1-methyl-2-oxo-indolin-3-ylidene)aminooxy-acetamide N-(2,4-difluorophenyl)-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)	2.63	2.15	-13.01	1	6	0	72	345.305	4	↓ MOL2 SDF SMILES Flexibase

9707263

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyphenyl)-2-(1-methyl-2-oxo-indolin-3-ylidene)aminooxy-acetamide N-(2-methoxyphenyl)-2-(1-methyl-…

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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)	2.38	0.77	-15.27	1	7	0	81	339.351	5	↓ MOL2 SDF SMILES Flexibase

9707264

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-methoxyphenyl)-2-(1-methyl-2-oxo-indolin-3-ylidene)aminooxy-acetamide N-(3-methoxyphenyl)-2-(1-methyl-…

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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)	2.40	0.66	-18.56	1	7	0	81	339.351	5	↓ MOL2 SDF SMILES Flexibase

9707265

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methoxyphenyl)-2-(1-methyl-2-oxo-indolin-3-ylidene)aminooxy-acetamide N-(4-methoxyphenyl)-2-(1-methyl-…

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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	0.65	-16.83	1	7	0	81	339.351	5	↓ MOL2 SDF SMILES Flexibase

9707266

Analogs

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Popular Name: N-(2-ethoxyphenyl)-2-(1-methyl-2-oxo-indolin-3-ylidene)aminooxy-acetamide N-(2-ethoxyphenyl)-2-(1-methyl-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.76	0.78	-14.96	1	7	0	81	353.378	6	↓ MOL2 SDF SMILES Flexibase

9707267

Analogs

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Popular Name: N-(4-ethoxyphenyl)-2-(1-methyl-2-oxo-indolin-3-ylidene)aminooxy-acetamide N-(4-ethoxyphenyl)-2-(1-methyl-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.80	0.66	-16.72	1	7	0	81	353.378	6	↓ MOL2 SDF SMILES Flexibase

9707268

Analogs

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Popular Name: N-(2,4-dimethoxyphenyl)-2-(1-methyl-2-oxo-indolin-3-ylidene)aminooxy-acetamide N-(2,4-dimethoxyphenyl)-2-(1-met…

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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)	2.41	0.78	-15.8	1	8	0	91	369.377	6	↓ MOL2 SDF SMILES Flexibase

9707269

Analogs

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Popular Name: N-(2,5-dimethoxyphenyl)-2-(1-methyl-2-oxo-indolin-3-ylidene)aminooxy-acetamide N-(2,5-dimethoxyphenyl)-2-(1-met…

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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)	2.41	0.77	-17.8	1	8	0	91	369.377	6	↓ MOL2 SDF SMILES Flexibase

9707270

Analogs

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Popular Name: N-(3,4-dimethoxyphenyl)-2-(1-methyl-2-oxo-indolin-3-ylidene)aminooxy-acetamide N-(3,4-dimethoxyphenyl)-2-(1-met…

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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)	2.02	0.97	-18.18	1	8	0	91	369.377	6	↓ MOL2 SDF SMILES Flexibase

9707271

Analogs

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Popular Name: N-benzo[1,3]dioxol-5-yl-2-(1-methyl-2-oxo-indolin-3-ylidene)aminooxy-acetamide N-benzo[1,3]dioxol-5-yl-2-(1-met…

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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)	2.26	-0.22	-16.74	1	8	0	91	353.334	4	↓ MOL2 SDF SMILES Flexibase

9707272

Analogs

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Popular Name: N-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)-2-(1-methyl-2-oxo-indolin-3-ylidene)aminooxy-aceta N-(2,5-dioxabicyclo[4.4.0]deca-7…

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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)	1.88	-0.24	-17.25	1	8	0	91	367.361	4	↓ MOL2 SDF SMILES Flexibase

9707273

Analogs

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Popular Name: 2-(1-methyl-2-oxo-indolin-3-ylidene)aminooxy-N-[2-(trifluoromethyl)phenyl]-acetamide 2-(1-methyl-2-oxo-indolin-3-ylid…

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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	3.07	-13.83	1	6	0	72	377.322	5	↓ MOL2 SDF SMILES Flexibase

9707274

Analogs

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Popular Name: 2-(1-methyl-2-oxo-indolin-3-ylidene)aminooxy-N-[3-(trifluoromethyl)phenyl]-acetamide 2-(1-methyl-2-oxo-indolin-3-ylid…

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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)	3.24	2.81	-14.5	1	6	0	72	377.322	5	↓ MOL2 SDF SMILES Flexibase

9707275

Analogs

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Popular Name: 2-(1-methyl-2-oxo-indolin-3-ylidene)aminooxy-N-[4-(trifluoromethyl)phenyl]-acetamide 2-(1-methyl-2-oxo-indolin-3-ylid…

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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)	3.27	2.8	-15.51	1	6	0	72	377.322	5	↓ MOL2 SDF SMILES Flexibase

9707276

Analogs

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Popular Name: 2-(1-methyl-2-oxo-indolin-3-ylidene)aminooxy-N-[4-(trifluoromethoxy)phenyl]-acetamide 2-(1-methyl-2-oxo-indolin-3-ylid…

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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)	3.34	2.16	-14.66	1	7	0	81	393.321	6	↓ MOL2 SDF SMILES Flexibase

9707277

Analogs

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Popular Name: 2-(1-methyl-2-oxo-indolin-3-ylidene)aminooxy-N-(3-nitrophenyl)-acetamide 2-(1-methyl-2-oxo-indolin-3-ylid…

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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)	2.31	1.15	-16.61	1	9	0	118	354.322	5	↓ MOL2 SDF SMILES Flexibase

9707278

Analogs

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Popular Name: 2-(1-methyl-2-oxo-indolin-3-ylidene)aminooxy-N-(4-nitrophenyl)-acetamide 2-(1-methyl-2-oxo-indolin-3-ylid…

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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)	2.33	1.16	-18.6	1	9	0	118	354.322	5	↓ MOL2 SDF SMILES Flexibase

9707279

Analogs

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Popular Name: ethyl ethyl

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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	2.15	-15.42	1	8	0	99	381.388	7	↓ MOL2 SDF SMILES Flexibase

9707280

Analogs

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Popular Name: ethyl ethyl

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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)	2.92	1.73	-17.63	1	8	0	99	381.388	7	↓ MOL2 SDF SMILES Flexibase

9707281

Analogs

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Popular Name: methyl methyl

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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)	2.54	1.77	-17.83	1	8	0	99	367.361	6	↓ MOL2 SDF SMILES Flexibase

9707282

Analogs

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Popular Name: N-(4-acetylphenyl)-2-(1-methyl-2-oxo-indolin-3-ylidene)aminooxy-acetamide N-(4-acetylphenyl)-2-(1-methyl-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.27	1.07	-17.88	1	7	0	89	351.362	5	↓ MOL2 SDF SMILES Flexibase

9707283

Analogs

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Popular Name: N-[3-[2-(1-methyl-2-oxo-indolin-3-ylidene)aminooxyacetyl]aminophenyl]acetamide N-[3-[2-(1-methyl-2-oxo-indolin-…

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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)	1.57	-0.46	-20.99	2	8	0	101	366.377	5	↓ MOL2 SDF SMILES Flexibase

9707284

Analogs

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Popular Name: N-[4-[2-(1-methyl-2-oxo-indolin-3-ylidene)aminooxyacetyl]aminophenyl]acetamide N-[4-[2-(1-methyl-2-oxo-indolin-…

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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)	1.59	-0.48	-23.65	2	8	0	101	366.377	5	↓ MOL2 SDF SMILES Flexibase

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