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ZINC Item

Suppliers, Protomers, & Similar Substances

53625513

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(3-chloro-4,5-dimethoxy-benzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide N'-(3-chloro-4,5-dimethoxy-benzo…

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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	4.34	-12.39	2	8	0	95	392.795	5	↓ MOL2 SDF SMILES Flexibase

53625514

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[4-(difluoromethoxy)-3-methoxy-benzoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide N'-[4-(difluoromethoxy)-3-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)	1.64	3.97	-14.63	2	8	0	95	394.33	6	↓ MOL2 SDF SMILES Flexibase

53625517

Analogs

Draw Identity 99% 90% 80% 70%

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)	1.60	5.15	-13.77	2	8	0	103	356.334	5	↓ MOL2 SDF SMILES Flexibase

53625522

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(3-methyl-2-nitro-benzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide N'-(3-methyl-2-nitro-benzoyl)-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)	1.74	7.06	-20.54	2	9	0	122	357.322	4	↓ MOL2 SDF SMILES Flexibase

53625563

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(4-methyl-3-nitro-benzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide N'-(4-methyl-3-nitro-benzoyl)-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)	1.77	5.8	-16.58	2	9	0	122	357.322	4	↓ MOL2 SDF SMILES Flexibase

53625588

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(2-methyl-5-methylsulfonyl-benzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide N'-(2-methyl-5-methylsulfonyl-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)	0.68	2.67	-19.17	2	8	0	111	390.417	4	↓ MOL2 SDF SMILES Flexibase

53625598

Analogs

6429452
25404535

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[4-(methylsulfanylmethyl)benzoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide N'-[4-(methylsulfanylmethyl)benz…

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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)	1.93	6.37	-12.52	2	6	0	77	358.419	5	↓ MOL2 SDF SMILES Flexibase

53625605

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(2-chloro-4-nitro-benzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide N'-(2-chloro-4-nitro-benzoyl)-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)	2.00	5.69	-13.67	2	9	0	122	377.74	4	↓ MOL2 SDF SMILES Flexibase

53625610

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(3,5-dimethoxy-4-methyl-benzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide N'-(3,5-dimethoxy-4-methyl-benzo…

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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)	1.85	3.87	-12.29	2	8	0	95	372.377	5	↓ MOL2 SDF SMILES Flexibase

53625644

Analogs

8314557

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(3-ethoxy-4-methoxy-benzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide N'-(3-ethoxy-4-methoxy-benzoyl)-…

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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)	1.45	4.61	-14.34	2	8	0	95	372.377	6	↓ MOL2 SDF SMILES Flexibase

53625691

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(3,4-dichlorobenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide N'-(3,4-dichlorobenzoyl)-2,3-dih…

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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)	2.72	5.43	-11.6	2	6	0	77	367.188	3	↓ MOL2 SDF SMILES Flexibase

53625692

Analogs

25438881

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[2-(trifluoromethyl)benzoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide N'-[2-(trifluoromethyl)benzoyl]-…

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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)	2.28	5.52	-14.67	2	6	0	77	366.295	4	↓ MOL2 SDF SMILES Flexibase

53625700

Analogs

7795434

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(3,5-dichlorobenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide N'-(3,5-dichlorobenzoyl)-2,3-dih…

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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)	2.72	5.48	-10.16	2	6	0	77	367.188	3	↓ MOL2 SDF SMILES Flexibase

53625701

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(2,3-dimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide N'-(2,3-dimethoxybenzoyl)-2,3-di…

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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)	1.80	4.78	-15.63	2	8	0	95	358.35	5	↓ MOL2 SDF SMILES Flexibase

53625715

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(4-chloro-2-nitro-benzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide N'-(4-chloro-2-nitro-benzoyl)-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)	2.00	6.42	-16.72	2	9	0	122	377.74	4	↓ MOL2 SDF SMILES Flexibase

53625722

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(2,3-dichlorobenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide N'-(2,3-dichlorobenzoyl)-2,3-dih…

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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)	2.69	5.44	-13.52	2	6	0	77	367.188	3	↓ MOL2 SDF SMILES Flexibase

53625723

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(2,4-dimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide N'-(2,4-dimethoxybenzoyl)-2,3-di…

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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	4.34	-14.86	2	8	0	95	358.35	5	↓ MOL2 SDF SMILES Flexibase

53625725

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(2,3,4-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide N'-(2,3,4-trimethoxybenzoyl)-2,3…

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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)	1.81	4.75	-15.77	2	9	0	104	388.376	6	↓ MOL2 SDF SMILES Flexibase

53625743

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(2-chloro-5-methylsulfanyl-benzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide N'-(2-chloro-5-methylsulfanyl-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)	2.47	6.01	-12.52	2	6	0	77	378.837	4	↓ MOL2 SDF SMILES Flexibase

53625754

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(2-methyl-3-nitro-benzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide N'-(2-methyl-3-nitro-benzoyl)-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)	1.74	5.68	-15.38	2	9	0	122	357.322	4	↓ MOL2 SDF SMILES Flexibase

53625759

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(2-chloro-4-fluoro-benzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide N'-(2-chloro-4-fluoro-benzoyl)-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)	2.20	5.05	-11.79	2	6	0	77	350.733	3	↓ MOL2 SDF SMILES Flexibase

53625762

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[4-(trifluoromethoxy)benzoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide N'-[4-(trifluoromethoxy)benzoyl]…

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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	4.29	-10.97	2	7	0	86	382.294	5	↓ MOL2 SDF SMILES Flexibase

53625763

Analogs

8314557

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(3,4-diethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide N'-(3,4-diethoxybenzoyl)-2,3-dih…

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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)	1.83	5.52	-14.14	2	8	0	95	386.404	7	↓ MOL2 SDF SMILES Flexibase

53625792

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)carbamoyl]phenyl]acetamide N-[3-[(2,3-dihydro-1,4-benzodiox…

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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)	0.63	3.37	-21.21	3	8	0	106	355.35	4	↓ MOL2 SDF SMILES Flexibase

53625872

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(2,4-dichloro-5-fluoro-benzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide N'-(2,4-dichloro-5-fluoro-benzoy…

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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)	2.81	5.54	-10.55	2	6	0	77	385.178	3	↓ MOL2 SDF SMILES Flexibase

53625877

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(2-bromo-4-fluoro-benzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide N'-(2-bromo-4-fluoro-benzoyl)-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)	2.33	5.15	-11.6	2	6	0	77	395.184	3	↓ MOL2 SDF SMILES Flexibase

53625930

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)carbamoyl]-N-methyl-benzenesulfonamide 3-[(2,3-dihydro-1,4-benzodioxine…

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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)	0.48	0.62	-19.24	3	9	0	123	391.405	5	↓ MOL2 SDF SMILES Flexibase

53625938

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)carbamoyl]phenyl]methanesulfonamide N-[3-[(2,3-dihydro-1,4-benzodiox…

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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)	0.64	1.25	-47.06	2	9	-1	125	390.397	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.64	1.09	-18.34	3	9	0	123	391.405	5	↓ MOL2 SDF SMILES Flexibase

53625976

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(2-methoxy-5-nitro-benzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide N'-(2-methoxy-5-nitro-benzoyl)-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)	1.92	5.72	-16.48	2	10	0	132	373.321	5	↓ MOL2 SDF SMILES Flexibase

53626023

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(4-bromo-2-fluoro-benzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide N'-(4-bromo-2-fluoro-benzoyl)-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)	2.33	5.16	-12.74	2	6	0	77	395.184	3	↓ MOL2 SDF SMILES Flexibase

53626024

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(5-chloro-2-fluoro-benzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide N'-(5-chloro-2-fluoro-benzoyl)-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)	2.20	5.06	-12.62	2	6	0	77	350.733	3	↓ MOL2 SDF SMILES Flexibase

16594049

Analogs

25376723

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(5-chloro2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]carbamoyl]-N,N-dimethyl-benzenesulfonamid 3-[[(5-chloro2,3-dihydro-1,4-ben…

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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)	1.52	2.94	-17.84	2	9	0	114	439.877	5	↓ MOL2 SDF SMILES Flexibase

16594086

Analogs

8351540
15525769
15476001

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(5-methoxy2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]carbamoyl]-N,N-dimethyl-benzenesulfonami 3-[[(5-methoxy2,3-dihydro-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)	0.71	2.34	-19.35	2	10	0	123	435.458	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 81889
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 = 81889 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=81889&filter.purchasability=annotated

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', {
        "ring.id": "81889"        

    });
</script>

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