ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

9707746

Analogs

9622044

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)	3.70	6.7	-23.8	0	7	0	95	454.476	6	↓ MOL2 SDF SMILES Flexibase

10509404

Analogs

20735300
25805620

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzothiazol-2-yl-1-[7-(trifluoromethyl)-5,6,8,9-tetrazabicyclo[4.3.0]nona-2,4,7,9-tetraen-4-yl]-p N-benzothiazol-2-yl-1-[7-(triflu…

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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)	3.62	10.34	-25.66	1	8	0	88	447.446	4	↓ MOL2 SDF SMILES Flexibase

10519366

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-methylbenzothiazol-2-ylidene)-2-(1,3,5-trimethylpyrazol-4-yl)-acetamide N-(3-methylbenzothiazol-2-yliden…

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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	-0.14	-15.6	0	5	0	52	314.414	2	↓ MOL2 SDF SMILES Flexibase

33445542

Analogs

8998155
9001081

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-allyl-6-bromo-1,3-benzothiazol-2-ylidene)-2-chloro-5-nitro-benzamide (NZ)-N-(3-allyl-6-bromo-1,3-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)	6.38	11.62	-9.31	0	6	0	80	452.717	4	↓ MOL2 SDF SMILES Flexibase

33445564

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-3-ethyl-5-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazono]-2-thioxo-thiazolidin-4-one (5E)-3-ethyl-5-[(Z)-(3-methyl-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)	3.69	8.74	-11.25	0	5	0	52	336.467	2	↓ MOL2 SDF SMILES Flexibase

33445784

Analogs

9078808

Draw Identity 99% 90% 80% 70%

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)	6.81	14.47	-11.61	0	5	0	61	466.509	7	↓ MOL2 SDF SMILES Flexibase

35253562

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-allyl-6-bromo-1,3-benzothiazol-2-ylidene)-2-(1-naphthyl)acetamide (NZ)-N-(3-allyl-6-bromo-1,3-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)	7.06	12.77	-10.99	0	3	0	34	437.362	4	↓ MOL2 SDF SMILES Flexibase

35253999

Analogs

8797645
8797657
8797711

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(6-chloro-3-ethyl-4-methyl-1,3-benzothiazol-2-ylidene)-4-(dibutylsulfamoyl)benzamide (NZ)-N-(6-chloro-3-ethyl-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)	7.98	12.58	-13.25	0	6	0	72	522.136	10	↓ MOL2 SDF SMILES Flexibase

17971329

Analogs

6332477

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-methyl-1,3-benzothiazol-2-ylidene)-6-oxo-1H-pyridine-3-carboxamide (NZ)-N-(3-methyl-1,3-benzothiazo…

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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	5.28	-14.03	1	5	0	67	285.328	1	↓ MOL2 SDF SMILES Flexibase

17992996

Analogs

8957760
8957761

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2 (NZ)-4-[(2S,6R)-2,6-dimethylmorp…

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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)	5.23	9.56	-15.38	0	7	0	81	497.642	4	↓ MOL2 SDF SMILES Flexibase

17993890

Analogs

8957832
8957833
8957927

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-4-[[(3R,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]-N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-yli (NZ)-4-[[(3R,5S)-3,5-dimethyl-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)	5.86	11.2	-15.29	0	7	0	81	511.669	6	↓ MOL2 SDF SMILES Flexibase

17994868

Analogs

9832812
9832813

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)b (NZ)-4-[(2S,6R)-2,6-dimethylmorp…

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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)	5.16	8.6	-14.77	0	7	0	81	473.62	4	↓ MOL2 SDF SMILES Flexibase

36129889

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-benzyl-N-[(2,3-dichlorophenyl)methyleneamino]-1,3-benzothiazol-2-imine 3-benzyl-N-[(2,3-dichlorophenyl)…

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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)	7.64	15.34	-7.12	0	3	0	30	412.345	4	↓ MOL2 SDF SMILES Flexibase

36130077

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-benzyl-N-[(2,6-dichlorophenyl)methyleneamino]-1,3-benzothiazol-2-imine 3-benzyl-N-[(2,6-dichlorophenyl)…

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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)	7.64	14.91	-10	0	3	0	30	412.345	4	↓ MOL2 SDF SMILES Flexibase

20615555

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2,7-diallyloxyfluoren-9-ylidene)amino]-1,3-benzothiazol-2-amine N-[(2,7-diallyloxyfluoren-9-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)	8.21	13.72	-17.74	1	5	0	59	439.54	7	↓ MOL2 SDF SMILES Flexibase

20615712

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3E)-3-(1,3-benzothiazol-2-ylhydrazono)-1-[(2,4-dichlorophenyl)methyl]indolin-2-one (3E)-3-(1,3-benzothiazol-2-ylhyd…

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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)	7.43	12.9	-18.08	1	5	0	63	453.354	3	↓ MOL2 SDF SMILES Flexibase

20615738

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3Z)-3-(1,3-benzothiazol-2-ylhydrazono)-1-[(4-bromophenyl)methyl]indolin-2-one (3Z)-3-(1,3-benzothiazol-2-ylhyd…

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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)	6.95	12.69	-17.91	1	5	0	63	463.36	3	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	6.95	12.63	-16.99	1	5	0	63	463.36	3	↓ MOL2 SDF SMILES Flexibase

20615760

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3E)-3-(1,3-benzothiazol-2-ylhydrazono)-7-iodo-indolin-2-one (3E)-3-(1,3-benzothiazol-2-ylhyd…

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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)	5.52	7.14	-13.1	2	5	0	73	420.235	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.97	5.09	-57.37	1	5	-1	76	419.227	1	↓ MOL2 SDF SMILES Flexibase

12032725

Analogs

8796309

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-4-(benzyl-methyl-sulfamoyl)-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide (NZ)-4-(benzyl-methyl-sulfamoyl)…

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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)	5.03	10.73	-18.88	0	9	0	118	496.57	6	↓ MOL2 SDF SMILES Flexibase

12032726

Analogs

2717425
9279168

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-4-(cyclohexyl-methyl-sulfamoyl)-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide (NZ)-4-(cyclohexyl-methyl-sulfam…

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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)	5.53	10	-16.85	0	9	0	118	488.591	5	↓ MOL2 SDF SMILES Flexibase

12032727

Analogs

8796295
8796297
9279179

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-(cyclohexyl-methyl-sulfamoyl)benzamide (NZ)-N-(6-bromo-3-methyl-1,3-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)	6.38	10.09	-13.28	0	6	0	72	522.49	4	↓ MOL2 SDF SMILES Flexibase

12032728

Analogs

8796287
8796289

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-(cyclohexyl-methyl-sulfamoyl)benzamide (NZ)-N-(6-chloro-3-methyl-1,3-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)	6.25	9.98	-13.42	0	6	0	72	478.039	4	↓ MOL2 SDF SMILES Flexibase

12032730

Analogs

36630554
36631565

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)acetamide (NZ)-N-(3-ethyl-4-methoxy-1,3-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)	3.09	0.31	-10.51	0	4	0	44	250.323	2	↓ MOL2 SDF SMILES Flexibase

12032731

Analogs

12032732
12032766
12378101
12378102
13062025

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)benzamide (NZ)-N-(3-ethyl-4-methoxy-1,3-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)	4.76	0.72	-12.11	0	4	0	44	312.394	3	↓ MOL2 SDF SMILES Flexibase

12032732

Analogs

12032766
12378102
13062025
33854841
36630702

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-4-methyl-benzamide (NZ)-N-(3-ethyl-4-methoxy-1,3-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)	5.21	1.04	-12.03	0	4	0	44	326.421	3	↓ MOL2 SDF SMILES Flexibase

12032733

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-4-nitro-benzamide (NZ)-N-(3-ethyl-4-methoxy-1,3-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)	4.72	1.24	-11.03	0	7	0	89	357.391	4	↓ MOL2 SDF SMILES Flexibase

12032734

Analogs

12032781
2715238

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-3-nitro-benzamide (NZ)-N-(3-ethyl-4-methoxy-1,3-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)	4.70	1.24	-15.45	0	7	0	89	357.391	4	↓ MOL2 SDF SMILES Flexibase

12032735

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-4-fluoro-benzamide (NZ)-N-(3-ethyl-4-methoxy-1,3-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)	4.93	1.46	-10.18	0	4	0	44	330.384	3	↓ MOL2 SDF SMILES Flexibase

12032736

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-3-fluoro-benzamide (NZ)-N-(3-ethyl-4-methoxy-1,3-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)	4.91	1.46	-12.22	0	4	0	44	330.384	3	↓ MOL2 SDF SMILES Flexibase

12032737

Analogs

36631151
39716930
39716936

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-3,5-dimethoxy-benzamide (NZ)-N-(3-ethyl-4-methoxy-1,3-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)	4.81	0.76	-13.88	0	6	0	62	372.446	5	↓ MOL2 SDF SMILES Flexibase

12032738

Analogs

12032778

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2,4-dimethoxy-benzamide (NZ)-N-(3-ethyl-4-methoxy-1,3-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)	5.36	1.48	-15.28	0	6	0	62	372.446	5	↓ MOL2 SDF SMILES Flexibase

12032739

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide (NZ)-N-(3-ethyl-4-methoxy-1,3-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)	4.66	-0.34	-12.25	0	4	0	44	318.423	3	↓ MOL2 SDF SMILES Flexibase

12032740

Analogs

13062020

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-4-benzoyl-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)benzamide (NZ)-4-benzoyl-N-(3-ethyl-4-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)	6.22	1.33	-13.54	0	5	0	61	416.502	5	↓ MOL2 SDF SMILES Flexibase

12032741

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxy-benzamide (NZ)-N-(3-ethyl-4-methoxy-1,3-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)	4.40	1.52	-13.83	0	7	0	71	402.472	6	↓ MOL2 SDF SMILES Flexibase

12032742

Analogs

36630929
39716926
39716953
39723236

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,E)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-3-phenyl-prop-2-enamide (NZ,E)-N-(3-ethyl-4-methoxy-1,3-…

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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)	5.40	0.9	-11.63	0	4	0	44	338.432	4	↓ MOL2 SDF SMILES Flexibase

12032743

Analogs

39716920
39716933
39716934

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-4-cyano-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)benzamide (NZ)-4-cyano-N-(3-ethyl-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)	4.52	2.1	-11.69	0	5	0	67	337.404	3	↓ MOL2 SDF SMILES Flexibase

12032744

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-5-nitro-thiophene-2-carboxamide (NZ)-N-(3-ethyl-4-methoxy-1,3-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)	4.75	0.04	-10.4	0	7	0	89	363.42	4	↓ MOL2 SDF SMILES Flexibase

12032745

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,E)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-3-(3-nitrophenyl)prop-2-enamide (NZ,E)-N-(3-ethyl-4-methoxy-1,3-…

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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)	5.34	1.42	-15.85	0	7	0	89	383.429	5	↓ MOL2 SDF SMILES Flexibase

12032746

Analogs

36631151
39716936

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-3,4-dimethoxy-benzamide (NZ)-N-(3-ethyl-4-methoxy-1,3-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)	4.41	1.08	-14.01	0	6	0	62	372.446	5	↓ MOL2 SDF SMILES Flexibase

12032747

Analogs

5183874
2715326

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-5-nitro-furan-2-carboxamide (NZ)-N-(3-ethyl-4-methoxy-1,3-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)	4.11	0.97	-12.2	0	8	0	103	347.352	4	↓ MOL2 SDF SMILES Flexibase

12032748

Analogs

39716958
39717035
39723122
39723207

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide (NZ)-N-(3-ethyl-4-methoxy-1,3-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)	5.64	2.9	-12.11	0	4	0	44	380.391	4	↓ MOL2 SDF SMILES Flexibase

12032749

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide (NZ)-N-(3-ethyl-4-methoxy-1,3-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)	5.34	8.6	-9.9	0	4	0	44	318.442	3	↓ MOL2 SDF SMILES Flexibase

12032750

Analogs

36631653
36631654
2715348

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-4-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)benzamide (NZ)-4-(2,5-dioxopyrrolidin-1-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)	2.99	0.83	-20.2	0	7	0	81	409.467	4	↓ MOL2 SDF SMILES Flexibase

12032751

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-(2-thienyl)quinoline-4-carboxamide (NZ)-N-(3-ethyl-4-methoxy-1,3-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)	6.68	12.17	-14.14	0	5	0	56	445.569	4	↓ MOL2 SDF SMILES Flexibase

12032752

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-3-phenoxy-propanamide (NZ)-N-(3-ethyl-4-methoxy-1,3-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)	5.01	0.22	-10.95	0	5	0	53	356.447	6	↓ MOL2 SDF SMILES Flexibase

12032753

Analogs

8974575

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-4-oxo-chromene-2-carboxamide (NZ)-N-(3-ethyl-4-methoxy-1,3-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)	4.89	0.88	-15.31	0	6	0	74	380.425	3	↓ MOL2 SDF SMILES Flexibase

12032754

Analogs

36630946
36631752
39716927
39717040
39717070

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-oxo-chromene-3-carboxamide (NZ)-N-(3-ethyl-4-methoxy-1,3-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)	4.77	2.18	-24.18	0	6	0	74	380.425	3	↓ MOL2 SDF SMILES Flexibase

12032755

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-2-(1,3-dioxoisoindolin-2-yl)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)acetamide (NZ)-2-(1,3-dioxoisoindolin-2-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)	4.27	0.33	-19.23	0	7	0	83	395.44	4	↓ MOL2 SDF SMILES Flexibase

12032756

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,E)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-3-(2-thienyl)prop-2-enamide (NZ,E)-N-(3-ethyl-4-methoxy-1,3-…

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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)	5.12	0.08	-11.13	0	4	0	44	344.461	4	↓ MOL2 SDF SMILES Flexibase

12032757

Analogs

39716962
8957217
8957853
8958615

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-5-nitro-benzothiophene-2-carboxamide (NZ)-N-(3-ethyl-4-methoxy-1,3-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)	5.91	11.14	-13.33	0	7	0	89	413.48	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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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', {
        "ring.id": "7991"        

    });
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