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ZINC Item

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30833223

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-bromo-5-ethoxy-4-hydroxy-phenyl)methyleneamino]-2-(3-chlorophenoxy)acetamide N-[(3-bromo-5-ethoxy-4-hydroxy-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)	4.40	7.29	-17.36	2	6	0	80	427.682	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.40	8.07	-47.67	1	6	-1	83	426.674	7	↓ MOL2 SDF SMILES Flexibase

30833229

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-chlorophenoxy)-N-[(3-ethoxy-4-hydroxy-5-iodo-phenyl)methyleneamino]acetamide 2-(3-chlorophenoxy)-N-[(3-ethoxy…

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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)	4.68	7.79	-16.7	2	6	0	80	474.682	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.68	8.53	-45.43	1	6	-1	83	473.674	7	↓ MOL2 SDF SMILES Flexibase

30833234

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)	3.89	9.03	-18.6	1	6	0	77	346.77	7	↓ MOL2 SDF SMILES Flexibase

30833238

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-chloro-3-nitro-phenyl)methyleneamino]-2-(3-chlorophenoxy)acetamide N-[(4-chloro-3-nitro-phenyl)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)	4.29	9.45	-19.55	1	7	0	97	368.176	6	↓ MOL2 SDF SMILES Flexibase

30833240

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-chlorophenoxy)-N-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methyleneamino]acetamide 2-(3-chlorophenoxy)-N-[(4-hydrox…

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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)	3.18	7.98	-52.63	1	9	-1	129	378.748	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.18	6.97	-19.36	2	9	0	126	379.756	7	↓ MOL2 SDF SMILES Flexibase

35254052

Analogs

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Popular Name: N-[(4-tert-butylphenyl)methyleneamino]-2-phenoxy-acetamide N-[(4-tert-butylphenyl)methylene…

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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)	4.77	10.2	-14.77	1	4	0	51	310.397	6	↓ MOL2 SDF SMILES Flexibase

36101859

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-tert-butylphenoxy)-N-[(3-ethoxy-2-hydroxy-5-nitro-phenyl)methyleneamino]acetamide 2-(4-tert-butylphenoxy)-N-[(3-et…

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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)	4.61	8.94	-18.83	2	9	0	126	415.446	9	↓ MOL2 SDF SMILES Flexibase

36127405

Analogs

36216325

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,4-dimethylphenoxy)-N-[(3-hydroxy-4-nitro-phenyl)methyleneamino]acetamide 2-(2,4-dimethylphenoxy)-N-[(3-hy…

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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)	3.56	7.7	-21.88	2	8	0	117	343.339	6	↓ MOL2 SDF SMILES Flexibase

36137353

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-ethoxyphenyl)methyleneamino]-2-(2-nitrophenoxy)acetamide N-[(4-ethoxyphenyl)methyleneamin…

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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)	3.41	9.32	-27.58	1	8	0	106	343.339	8	↓ MOL2 SDF SMILES Flexibase

36137373

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-chloro-6-fluoro-phenyl)methyleneamino]-2-(2-nitrophenoxy)acetamide N-[(2-chloro-6-fluoro-phenyl)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)	3.73	9.35	-27.46	1	7	0	97	351.721	6	↓ MOL2 SDF SMILES Flexibase

36137376

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-ethoxyphenyl)methyleneamino]-2-(2-nitrophenoxy)acetamide N-[(2-ethoxyphenyl)methyleneamin…

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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)	3.36	9.34	-26.94	1	8	0	106	343.339	8	↓ MOL2 SDF SMILES Flexibase

36137379

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-ethylphenyl)methyleneamino]-2-(2-nitrophenoxy)acetamide N-[(4-ethylphenyl)methyleneamino…

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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)	3.89	10.53	-26.22	1	7	0	97	327.34	7	↓ MOL2 SDF SMILES Flexibase

36137381

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-isopropylphenyl)methyleneamino]-2-(2-nitrophenoxy)acetamide N-[(4-isopropylphenyl)methylenea…

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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)	4.49	11	-26.12	1	7	0	97	341.367	7	↓ MOL2 SDF SMILES Flexibase

36137393

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-chlorophenoxy)-N-[(2-fluorophenyl)methyleneamino]acetamide 2-(3-chlorophenoxy)-N-[(2-fluoro…

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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)	3.84	8.23	-22.57	1	4	0	51	306.724	5	↓ MOL2 SDF SMILES Flexibase

36137396

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-bromophenyl)methyleneamino]-2-(3-chlorophenoxy)acetamide N-[(3-bromophenyl)methyleneamino…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.51	8.68	-20.39	1	4	0	51	367.63	5	↓ MOL2 SDF SMILES Flexibase

36142777

Analogs

36142783
353761
4724094
4724109
30802320

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-chlorophenoxy)-N-[(4-methoxyphenyl)methyleneamino]acetamide 2-(3-chlorophenoxy)-N-[(4-methox…

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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)	3.78	7.37	-20.06	1	5	0	60	318.76	6	↓ MOL2 SDF SMILES Flexibase

36142783

Analogs

36142777
353761
4724094
4724109

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-chlorophenoxy)-N-[(4-ethoxyphenyl)methyleneamino]acetamide 2-(3-chlorophenoxy)-N-[(4-ethoxy…

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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)	4.16	8.29	-19.87	1	5	0	60	332.787	7	↓ MOL2 SDF SMILES Flexibase

36142800

Analogs

4724121
30802379

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-chlorophenoxy)-N-(p-tolylmethyleneamino)acetamide 2-(3-chlorophenoxy)-N-(p-tolylme…

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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	8.74	-18.29	1	4	0	51	302.761	5	↓ MOL2 SDF SMILES Flexibase

36142906

Analogs

511398
4724384

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-tert-butylphenoxy)-N-[(4-chlorophenyl)methyleneamino]acetamide 2-(2-tert-butylphenoxy)-N-[(4-ch…

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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	10.92	-13.89	1	4	0	51	344.842	6	↓ MOL2 SDF SMILES Flexibase

36142910

Analogs

36245428
40844668
6156099
20100847
4150715

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-ethoxyphenoxy)-N-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methyleneamino]acetamide 2-(2-ethoxyphenoxy)-N-[(4-hydrox…

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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	6.74	-31.22	2	10	0	135	389.364	9	↓ MOL2 SDF SMILES Flexibase

36142912

Analogs

4724387
5413973

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-tert-butylphenoxy)-N-[(2,4-dichlorophenyl)methyleneamino]acetamide 2-(2-tert-butylphenoxy)-N-[(2,4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.01	11.26	-12.04	1	4	0	51	379.287	6	↓ MOL2 SDF SMILES Flexibase

36142914

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-tert-butylphenoxy)-N-[(3-nitrophenyl)methyleneamino]acetamide 2-(2-tert-butylphenoxy)-N-[(3-ni…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.66	11.1	-17.69	1	7	0	97	355.394	7	↓ MOL2 SDF SMILES Flexibase

36142917

Analogs

511331
4724390

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-tert-butylphenoxy)-N-[(4-nitrophenyl)methyleneamino]acetamide 2-(2-tert-butylphenoxy)-N-[(4-ni…

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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)	4.68	11.11	-17.85	1	7	0	97	355.394	7	↓ MOL2 SDF SMILES Flexibase

36142924

Analogs

4724396
13979892

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-tert-butylphenoxy)-N-[(3,4-dimethoxyphenyl)methyleneamino]acetamide 2-(2-tert-butylphenoxy)-N-[(3,4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.37	9.62	-16.91	1	6	0	69	370.449	8	↓ MOL2 SDF SMILES Flexibase

36143072

Analogs

4724612
30802791

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(E)-[(2-phenoxyacetyl)hydrazono]methyl]benzoic 4-[(E)-[(2-phenoxyacetyl)hydrazo…

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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	8.07	-62.91	1	6	-1	91	297.29	6	↓ MOL2 SDF SMILES Flexibase

36145014

Analogs

40844668
30895848
36009102

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dimethylphenoxy)-N-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methyleneamino]acetamide 2-(3,4-dimethylphenoxy)-N-[(4-hy…

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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)	3.35	7.29	-27.59	2	9	0	126	373.365	7	↓ MOL2 SDF SMILES Flexibase

36154310

Analogs

36154314
36206860
32114574
32114576
9305858

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(2,4-dichlorophenoxy)-N-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methyleneamino]propanamide (2S)-2-(2,4-dichlorophenoxy)-N-[…

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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	7.69	-28.9	2	9	0	126	428.228	7	↓ MOL2 SDF SMILES Flexibase

36154314

Analogs

36206860
32114574
32114576
36154310

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(2,4-dichlorophenoxy)-N-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methyleneamino]propanamide (2R)-2-(2,4-dichlorophenoxy)-N-[…

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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	7.69	-28.92	2	9	0	126	428.228	7	↓ MOL2 SDF SMILES Flexibase

36157557

Analogs

36247458
57476861
36020544
36020550

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dimethylphenoxy)-N-[(5-hydroxy-2-nitro-phenyl)methyleneamino]acetamide 2-(3,4-dimethylphenoxy)-N-[(5-hy…

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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)	3.30	6.35	-17.33	2	8	0	117	343.339	6	↓ MOL2 SDF SMILES Flexibase

36162511

Analogs

3068668
35655043

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (4-chloro-3,5-dimethylphenoxy)-, [(2-hydroxy-5-nitrophenyl)methylene]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)	4.38	7.43	-18.22	2	8	0	117	377.784	6	↓ MOL2 SDF SMILES Flexibase

36162596

Analogs

40840444
6951039
30822652
30822653

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-tert-butylphenoxy)-N-[(4-hydroxy-3-nitro-phenyl)methyleneamino]acetamide 2-(4-tert-butylphenoxy)-N-[(4-hy…

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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)	4.44	8.65	-19.1	2	8	0	117	371.393	7	↓ MOL2 SDF SMILES Flexibase

36162604

Analogs

6287075
30820847
30820845

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-tert-butylphenoxy)-N-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methyleneamino]acetamide 2-(4-tert-butylphenoxy)-N-[(4-hy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.23	8.39	-27.03	2	9	0	126	401.419	8	↓ MOL2 SDF SMILES Flexibase

36213739

Analogs

4724148

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chloro-2-methyl-phenoxy)-N-[(5-hydroxy-2-nitro-phenyl)methyleneamino]acetamide 2-(4-chloro-2-methyl-phenoxy)-N-…

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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	6.64	-18.06	2	8	0	117	363.757	6	↓ MOL2 SDF SMILES Flexibase

36216325

Analogs

4724225
36020518

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-hydroxy-4-nitro-phenyl)methyleneamino]-2-(2,3,6-trimethylphenoxy)acetamide N-[(3-hydroxy-4-nitro-phenyl)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)	3.94	8.34	-20.37	2	8	0	117	357.366	6	↓ MOL2 SDF SMILES Flexibase

12401428

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenoxy)-N-[[2-(diisobutylamino)-5-nitro-phenyl]methyleneamino]acetamide 2-(4-chlorophenoxy)-N-[[2-(diiso…

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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)	5.98	2.29	-13.9	1	8	0	100	460.962	11	↓ MOL2 SDF SMILES Flexibase

12401430

Analogs

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Popular Name: 2-(2,4-dichlorophenoxy)-N-[[2-(diisobutylamino)-5-nitro-phenyl]methyleneamino]acetamide 2-(2,4-dichlorophenoxy)-N-[[2-(d…

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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)	6.59	2.26	-15.62	1	8	0	100	495.407	11	↓ MOL2 SDF SMILES Flexibase

12401432

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-chlorophenoxy)-N-[[2-(diisobutylamino)-5-nitro-phenyl]methyleneamino]acetamide 2-(3-chlorophenoxy)-N-[[2-(diiso…

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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)	5.96	2.15	-15.46	1	8	0	100	460.962	11	↓ MOL2 SDF SMILES Flexibase

12401434

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(diisobutylamino)-5-nitro-phenyl]methyleneamino]-2-(2-methoxyphenoxy)acetamide N-[[2-(diisobutylamino)-5-nitro-…

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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)	4.92	2.69	-17.4	1	9	0	109	456.543	12	↓ MOL2 SDF SMILES Flexibase

12401991

Analogs

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Popular Name: 2-(2-bromo-4-nitro-phenoxy)-N-(1-phenylpropylideneamino)acetamide 2-(2-bromo-4-nitro-phenoxy)-N-(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)	4.18	0.64	-21.64	1	7	0	97	406.236	7	↓ MOL2 SDF SMILES Flexibase

12401992

Analogs

5174686

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methyl-2-nitro-phenoxy)-N-(1-phenylpropylideneamino)acetamide 2-(4-methyl-2-nitro-phenoxy)-N-(…

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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	1.96	-28.28	1	7	0	97	341.367	7	↓ MOL2 SDF SMILES Flexibase

12403411

Analogs

12579869

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Popular Name: N'-(4-bromobenzylidene)-2-(2-bromo-4-tert-butylphenoxy)acetohydrazide N'-(4-bromobenzylidene)-2-(2-bro…

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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)	6.32	-0.24	-18.53	1	4	0	51	468.189	6	↓ MOL2 SDF SMILES Flexibase

12403412

Analogs

6358891

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Popular Name: 2-(2-bromo-4-tert-butylphenoxy)-N'-(2,4-dihydroxybenzylidene)acetohydrazide 2-(2-bromo-4-tert-butylphenoxy)-…

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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)	4.95	-3.13	-21.08	3	6	0	91	421.291	6	↓ MOL2 SDF SMILES Flexibase

12403413

Analogs

12579878

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Popular Name: 2-(2-bromo-4-tert-butylphenoxy)-N'-(3,4,5-trimethoxybenzylidene)acetohydrazide 2-(2-bromo-4-tert-butylphenoxy)-…

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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)	5.14	1.31	-22.66	1	7	0	78	479.371	9	↓ MOL2 SDF SMILES Flexibase

12403416

Analogs

12403419
12579914
12579934

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Popular Name: 2-(2-bromo-4-tert-butylphenoxy)-N'-(3-hydroxy-4-methoxybenzylidene)acetohydrazide 2-(2-bromo-4-tert-butylphenoxy)-…

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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)	4.85	-1.08	-20.28	2	6	0	80	435.318	7	↓ MOL2 SDF SMILES Flexibase

12403417

Analogs

12403451
12579921
12580099

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-bromo-4-tert-butylphenoxy)-N'-(mesitylmethylene)acetohydrazide 2-(2-bromo-4-tert-butylphenoxy)-…

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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)	6.71	1.49	-17.11	1	4	0	51	431.374	6	↓ MOL2 SDF SMILES Flexibase

12403418

Analogs

12403423
12579927
40950817
40950819
6358942

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Popular Name: 2-(2-bromo-4-tert-butylphenoxy)-N'-(4-methylbenzylidene)acetohydrazide 2-(2-bromo-4-tert-butylphenoxy)-…

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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)	5.96	0.84	-18.5	1	4	0	51	403.32	6	↓ MOL2 SDF SMILES Flexibase

12403419

Analogs

12403439
12579914
12579934
12580050
12403416

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-bromo-4-tert-butylphenoxy)-N'-(4-hydroxy-3-methoxybenzylidene)acetohydrazide 2-(2-bromo-4-tert-butylphenoxy)-…

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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)	4.85	-1.08	-21	2	6	0	80	435.318	7	↓ MOL2 SDF SMILES Flexibase

12403420

Analogs

12579938

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-bromo-4-tert-butylphenoxy)-N'-(2-hydroxy-3-methoxybenzylidene)acetohydrazide 2-(2-bromo-4-tert-butylphenoxy)-…

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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)	5.06	-0.83	-22.72	2	6	0	80	435.318	7	↓ MOL2 SDF SMILES Flexibase

12403421

Analogs

6358893

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-bromo-4-tert-butylphenoxy)-N'-(3-chlorobenzylidene)acetohydrazide 2-(2-bromo-4-tert-butylphenoxy)-…

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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)	6.17	0.37	-20.59	1	4	0	51	423.738	6	↓ MOL2 SDF SMILES Flexibase

12403422

Analogs

12579943

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-bromo-4-tert-butylphenoxy)-N'-(5-bromo-2-hydroxybenzylidene)acetohydrazide 2-(2-bromo-4-tert-butylphenoxy)-…

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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)	6.24	-1.93	-17.5	2	5	0	71	484.188	6	↓ MOL2 SDF SMILES Flexibase

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SQL Query Was

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