ZINC 12

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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)	1.17	-6.03	-19.18	2	8	0	105	375.406	4	↓ MOL2 SDF SMILES Flexibase

12232318

Analogs

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Popular Name: 4-(dimethylsulfamoyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)benzamide 4-(dimethylsulfamoyl)-N-(4-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)	1.41	-4.25	-18.92	1	8	0	96	389.433	4	↓ MOL2 SDF SMILES Flexibase

12232351

Analogs

12232356

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Popular Name: 4-(dimethylsulfamoyl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide 4-(dimethylsulfamoyl)-N-[(2S)-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)	1.53	-5.73	-18.57	2	8	0	105	389.433	4	↓ MOL2 SDF SMILES Flexibase

12232356

Analogs

12232351

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Popular Name: 4-(dimethylsulfamoyl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide 4-(dimethylsulfamoyl)-N-[(2R)-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)	1.53	-5.69	-18.28	2	8	0	105	389.433	4	↓ MOL2 SDF SMILES Flexibase

12237058

Analogs

21808940

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Popular Name: 2-chloro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide 2-chloro-N-(3-oxo-4H-1,4-benzoxa…

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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)	2.48	-2.04	-15.3	2	5	0	67	302.717	2	↓ MOL2 SDF SMILES Flexibase

12237062

Analogs

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Popular Name: 2-chloro-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)benzamide 2-chloro-N-(4-methyl-3-oxo-1,4-b…

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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	-0.39	-15.23	1	5	0	59	316.744	2	↓ MOL2 SDF SMILES Flexibase

12237067

Analogs

12237070

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Popular Name: 2-chloro-N-[(2S)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]benzamide 2-chloro-N-[(2S)-2,4-dimethyl-3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.09	-0.21	-14.92	1	5	0	59	330.771	2	↓ MOL2 SDF SMILES Flexibase

12237070

Analogs

12237067

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Popular Name: 2-chloro-N-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]benzamide 2-chloro-N-[(2R)-2,4-dimethyl-3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.09	-0.16	-13.26	1	5	0	59	330.771	2	↓ MOL2 SDF SMILES Flexibase

12237073

Analogs

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Popular Name: 2-chloro-N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)benzamide 2-chloro-N-(4-ethyl-3-oxo-1,4-be…

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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)	3.10	-0.16	-14.91	1	5	0	59	330.771	3	↓ MOL2 SDF SMILES Flexibase

12237084

Analogs

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Popular Name: 2-chloro-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)benzamide 2-chloro-N-(3-oxo-4-propyl-1,4-b…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.61	-0.09	-14.8	1	5	0	59	344.798	4	↓ MOL2 SDF SMILES Flexibase

12237086

Analogs

12237090

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Popular Name: 2-chloro-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide 2-chloro-N-[(2S)-2-methyl-3-oxo-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.85	-1.87	-14.96	2	5	0	67	316.744	2	↓ MOL2 SDF SMILES Flexibase

12237090

Analogs

12237086

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Popular Name: 2-chloro-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide 2-chloro-N-[(2R)-2-methyl-3-oxo-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.85	-1.82	-14.69	2	5	0	67	316.744	2	↓ MOL2 SDF SMILES Flexibase

12237185

Analogs

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Popular Name: N-(4-allyl-3-oxo-1,4-benzoxazin-6-yl)-2-chloro-benzamide N-(4-allyl-3-oxo-1,4-benzoxazin-…

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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	0.29	-14.89	1	5	0	59	342.782	4	↓ MOL2 SDF SMILES Flexibase

12237188

Analogs

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Popular Name: 2-chloro-N-[4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-6-yl]benzamide 2-chloro-N-[4-(2-methylprop-2-en…

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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	0.57	-14.6	1	5	0	59	356.809	4	↓ MOL2 SDF SMILES Flexibase

12237190

Analogs

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Popular Name: N-(4-butyl-3-oxo-1,4-benzoxazin-6-yl)-2-chloro-benzamide N-(4-butyl-3-oxo-1,4-benzoxazin-…

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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	0.03	-14.7	1	5	0	59	358.825	5	↓ MOL2 SDF SMILES Flexibase

12237196

Analogs

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Popular Name: 2-chloro-N-(4-isobutyl-3-oxo-1,4-benzoxazin-6-yl)benzamide 2-chloro-N-(4-isobutyl-3-oxo-1,4…

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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)	3.85	0.09	-14.16	1	5	0	59	358.825	4	↓ MOL2 SDF SMILES Flexibase

12237198

Analogs

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Popular Name: 2-chloro-N-(4-isopropyl-3-oxo-1,4-benzoxazin-6-yl)benzamide 2-chloro-N-(4-isopropyl-3-oxo-1,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.40	0.07	-14.26	1	5	0	59	344.798	3	↓ MOL2 SDF SMILES Flexibase

12237203

Analogs

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Popular Name: 2-chloro-N-[4-(2-dimethylaminoethyl)-3-oxo-1,4-benzoxazin-6-yl]benzamide 2-chloro-N-[4-(2-dimethylaminoet…

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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	0.36	-38.37	2	6	1	63	374.848	5	↓ MOL2 SDF SMILES Flexibase

12237209

Analogs

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Popular Name: 2-chloro-N-[4-(3-dimethylaminopropyl)-3-oxo-1,4-benzoxazin-6-yl]benzamide 2-chloro-N-[4-(3-dimethylaminopr…

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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)	3.03	0.48	-40.86	2	6	1	63	388.875	6	↓ MOL2 SDF SMILES Flexibase

12237214

Analogs

12237217

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Popular Name: 2-chloro-N-[(2R)-4-ethyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]benzamide 2-chloro-N-[(2R)-4-ethyl-2-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)	3.47	0.03	-14.22	1	5	0	59	344.798	3	↓ MOL2 SDF SMILES Flexibase

12237217

Analogs

12237214

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Popular Name: 2-chloro-N-[(2S)-4-ethyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]benzamide 2-chloro-N-[(2S)-4-ethyl-2-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)	3.47	0.02	-14.45	1	5	0	59	344.798	3	↓ MOL2 SDF SMILES Flexibase

12237234

Analogs

12237236

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Popular Name: 2-chloro-N-[(2R)-2-methyl-3-oxo-4-propyl-1,4-benzoxazin-6-yl]benzamide 2-chloro-N-[(2R)-2-methyl-3-oxo-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.97	0.15	-13.09	1	5	0	59	358.825	4	↓ MOL2 SDF SMILES Flexibase

12237236

Analogs

12237234

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Popular Name: 2-chloro-N-[(2S)-2-methyl-3-oxo-4-propyl-1,4-benzoxazin-6-yl]benzamide 2-chloro-N-[(2S)-2-methyl-3-oxo-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.97	0.09	-14.56	1	5	0	59	358.825	4	↓ MOL2 SDF SMILES Flexibase

12237304

Analogs

12237306

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Popular Name: N-[(2S)-4-allyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-2-chloro-benzamide N-[(2S)-4-allyl-2-methyl-3-oxo-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.74	0.47	-14.64	1	5	0	59	356.809	4	↓ MOL2 SDF SMILES Flexibase

12237306

Analogs

12237304

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Popular Name: N-[(2R)-4-allyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-2-chloro-benzamide N-[(2R)-4-allyl-2-methyl-3-oxo-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.74	0.53	-12.67	1	5	0	59	356.809	4	↓ MOL2 SDF SMILES Flexibase

12237309

Analogs

12237312

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Popular Name: 2-chloro-N-[(2S)-2-methyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-6-yl]benzamide 2-chloro-N-[(2S)-2-methyl-4-(2-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.28	0.76	-13.14	1	5	0	59	370.836	4	↓ MOL2 SDF SMILES Flexibase

12237312

Analogs

12237309

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Popular Name: 2-chloro-N-[(2R)-2-methyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-6-yl]benzamide 2-chloro-N-[(2R)-2-methyl-4-(2-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.28	0.81	-13.02	1	5	0	59	370.836	4	↓ MOL2 SDF SMILES Flexibase

12237315

Analogs

12237316

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Popular Name: N-[(2R)-4-butyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-2-chloro-benzamide N-[(2R)-4-butyl-2-methyl-3-oxo-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)	4.53	0.26	-14.22	1	5	0	59	372.852	5	↓ MOL2 SDF SMILES Flexibase

12237316

Analogs

12237315

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Popular Name: N-[(2S)-4-butyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-2-chloro-benzamide N-[(2S)-4-butyl-2-methyl-3-oxo-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)	4.53	0.21	-14.13	1	5	0	59	372.852	5	↓ MOL2 SDF SMILES Flexibase

12237337

Analogs

12237340

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Popular Name: 2-chloro-N-[(2S)-4-(2-dimethylaminoethyl)-2-methyl-3-oxo-1,4-benzoxazin-6-yl]benzamide 2-chloro-N-[(2S)-4-(2-dimethylam…

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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)	3.12	0.54	-38.09	2	6	1	63	388.875	5	↓ MOL2 SDF SMILES Flexibase

12237340

Analogs

12237337

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Popular Name: 2-chloro-N-[(2R)-4-(2-dimethylaminoethyl)-2-methyl-3-oxo-1,4-benzoxazin-6-yl]benzamide 2-chloro-N-[(2R)-4-(2-dimethylam…

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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)	3.12	0.6	-51.12	2	6	1	63	388.875	5	↓ MOL2 SDF SMILES Flexibase

12237438

Analogs

21805317
21805320

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Popular Name: 3-chloro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide 3-chloro-N-(3-oxo-4H-1,4-benzoxa…

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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	-2.07	-11.76	2	5	0	67	302.717	2	↓ MOL2 SDF SMILES Flexibase

12237439

Analogs

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Popular Name: 3-chloro-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)benzamide 3-chloro-N-(4-methyl-3-oxo-1,4-b…

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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)	2.75	-0.42	-11.86	1	5	0	59	316.744	2	↓ MOL2 SDF SMILES Flexibase

12237440

Analogs

12237442

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Popular Name: 3-chloro-N-[(2S)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]benzamide 3-chloro-N-[(2S)-2,4-dimethyl-3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.12	-0.24	-11.6	1	5	0	59	330.771	2	↓ MOL2 SDF SMILES Flexibase

12237442

Analogs

12237440

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]benzamide 3-chloro-N-[(2R)-2,4-dimethyl-3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.12	-0.19	-12.96	1	5	0	59	330.771	2	↓ MOL2 SDF SMILES Flexibase

12237444

Analogs

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Popular Name: 3-chloro-N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)benzamide 3-chloro-N-(4-ethyl-3-oxo-1,4-be…

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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)	3.13	-0.19	-11.66	1	5	0	59	330.771	3	↓ MOL2 SDF SMILES Flexibase

12237449

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)benzamide 3-chloro-N-(3-oxo-4-propyl-1,4-b…

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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	-0.12	-11.6	1	5	0	59	344.798	4	↓ MOL2 SDF SMILES Flexibase

12237503

Analogs

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Popular Name: N-(4-allyl-3-oxo-1,4-benzoxazin-6-yl)-3-chloro-benzamide N-(4-allyl-3-oxo-1,4-benzoxazin-…

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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)	3.40	0.26	-11.58	1	5	0	59	342.782	4	↓ MOL2 SDF SMILES Flexibase

12237506

Analogs

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Popular Name: 3-chloro-N-[4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-6-yl]benzamide 3-chloro-N-[4-(2-methylprop-2-en…

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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	0.54	-11.29	1	5	0	59	356.809	4	↓ MOL2 SDF SMILES Flexibase

12237508

Analogs

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Popular Name: N-(4-butyl-3-oxo-1,4-benzoxazin-6-yl)-3-chloro-benzamide N-(4-butyl-3-oxo-1,4-benzoxazin-…

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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	0	-11.5	1	5	0	59	358.825	5	↓ MOL2 SDF SMILES Flexibase

12237512

Analogs

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Popular Name: 3-chloro-N-(4-isobutyl-3-oxo-1,4-benzoxazin-6-yl)benzamide 3-chloro-N-(4-isobutyl-3-oxo-1,4…

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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)	3.87	0.06	-10.9	1	5	0	59	358.825	4	↓ MOL2 SDF SMILES Flexibase

12237515

Analogs

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Popular Name: 3-chloro-N-(4-isopropyl-3-oxo-1,4-benzoxazin-6-yl)benzamide 3-chloro-N-(4-isopropyl-3-oxo-1,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.43	0.04	-11.03	1	5	0	59	344.798	3	↓ MOL2 SDF SMILES Flexibase

12237522

Analogs

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Popular Name: 3-chloro-N-[4-(2-dimethylaminoethyl)-3-oxo-1,4-benzoxazin-6-yl]benzamide 3-chloro-N-[4-(2-dimethylaminoet…

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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)	2.78	0.33	-37.86	2	6	1	63	374.848	5	↓ MOL2 SDF SMILES Flexibase

12237526

Analogs

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Popular Name: 3-chloro-N-[4-(3-dimethylaminopropyl)-3-oxo-1,4-benzoxazin-6-yl]benzamide 3-chloro-N-[4-(3-dimethylaminopr…

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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	0.45	-39.39	2	6	1	63	388.875	6	↓ MOL2 SDF SMILES Flexibase

12237532

Analogs

12237534

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[(2R)-4-ethyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]benzamide 3-chloro-N-[(2R)-4-ethyl-2-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)	3.49	0.04	-12.9	1	5	0	59	344.798	3	↓ MOL2 SDF SMILES Flexibase

12237534

Analogs

12237532

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[(2S)-4-ethyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]benzamide 3-chloro-N-[(2S)-4-ethyl-2-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)	3.49	-0.01	-11.24	1	5	0	59	344.798	3	↓ MOL2 SDF SMILES Flexibase

12237552

Analogs

12237554

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[(2R)-2-methyl-3-oxo-4-propyl-1,4-benzoxazin-6-yl]benzamide 3-chloro-N-[(2R)-2-methyl-3-oxo-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.99	0.11	-12.83	1	5	0	59	358.825	4	↓ MOL2 SDF SMILES Flexibase

12237554

Analogs

12237552

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[(2S)-2-methyl-3-oxo-4-propyl-1,4-benzoxazin-6-yl]benzamide 3-chloro-N-[(2S)-2-methyl-3-oxo-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.99	0.06	-11.12	1	5	0	59	358.825	4	↓ MOL2 SDF SMILES Flexibase

12237612

Analogs

12237614

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-4-allyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-3-chloro-benzamide N-[(2S)-4-allyl-2-methyl-3-oxo-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.76	0.44	-11.28	1	5	0	59	356.809	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 90503
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 90503 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

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Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
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