ZINC 12

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	1.54	-8.85	1	4	0	59	308.306	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.41	1.49	-39.38	0	4	-1	61	307.298	4	↓ MOL2 SDF SMILES Flexibase

40348209

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 3-amino-N-[(4-methylthiazol-2-yl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.34	0.16	-11.18	3	5	0	85	283.378	4	↓ MOL2 SDF SMILES Flexibase

40348211

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 2-amino-N-[(4-methylthiazol-2-yl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.72	0.6	-10.5	3	5	0	85	283.378	4	↓ MOL2 SDF SMILES Flexibase

40348212

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-fluoro-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 2-amino-4-fluoro-N-[(4-methylthi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.86	0.66	-9.84	3	5	0	85	301.368	4	↓ MOL2 SDF SMILES Flexibase

40348213

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-methyl-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 5-amino-2-methyl-N-[(4-methylthi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.74	1.07	-10.66	3	5	0	85	297.405	4	↓ MOL2 SDF SMILES Flexibase

40348214

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-chloro-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 5-amino-2-chloro-N-[(4-methylthi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.97	0.22	-10.71	3	5	0	85	317.823	4	↓ MOL2 SDF SMILES Flexibase

40348215

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-chloro-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 4-amino-2-chloro-N-[(4-methylthi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.97	0.22	-11.03	3	5	0	85	317.823	4	↓ MOL2 SDF SMILES Flexibase

40348216

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-chloro-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 3-amino-4-chloro-N-[(4-methylthi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.38	0.74	-10.26	3	5	0	85	317.823	4	↓ MOL2 SDF SMILES Flexibase

40348217

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-hydroxy-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 3-amino-4-hydroxy-N-[(4-methylth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	-2.57	-12.04	4	6	0	105	299.377	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.48	-1.81	-45.32	3	6	-1	108	298.369	4	↓ MOL2 SDF SMILES Flexibase

40348218

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-fluoro-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 3-amino-4-fluoro-N-[(4-methylthi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.86	0.25	-10.6	3	5	0	85	301.368	4	↓ MOL2 SDF SMILES Flexibase

40348220

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-methoxy-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 3-amino-4-methoxy-N-[(4-methylth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.76	-0.42	-11.69	3	6	0	94	313.404	5	↓ MOL2 SDF SMILES Flexibase

40348221

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-5-chloro-4-methyl-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 3-amino-5-chloro-4-methyl-N-[(4-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.75	1.37	-11.23	3	5	0	85	331.85	4	↓ MOL2 SDF SMILES Flexibase

40348222

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-methoxy-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 5-amino-2-methoxy-N-[(4-methylth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.35	-0.03	-12.52	3	6	0	94	313.404	5	↓ MOL2 SDF SMILES Flexibase

40348223

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2,4-difluoro-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 5-amino-2,4-difluoro-N-[(4-methy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.96	-0	-9.68	3	5	0	85	319.358	4	↓ MOL2 SDF SMILES Flexibase

40348224

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4,5-dimethyl-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 3-amino-4,5-dimethyl-N-[(4-methy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	1.49	-11.38	3	5	0	85	311.432	4	↓ MOL2 SDF SMILES Flexibase

40348225

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2,3-dimethyl-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 5-amino-2,3-dimethyl-N-[(4-methy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.12	1.5	-10.61	3	5	0	85	311.432	4	↓ MOL2 SDF SMILES Flexibase

40348226

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-methoxy-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 2-amino-4-methoxy-N-[(4-methylth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.76	-0.11	-11.14	3	6	0	94	313.404	5	↓ MOL2 SDF SMILES Flexibase

40348227

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4,5-dimethyl-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 2-amino-4,5-dimethyl-N-[(4-methy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	1.79	-10.55	3	5	0	85	311.432	4	↓ MOL2 SDF SMILES Flexibase

40348228

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-2-methyl-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 3-amino-2-methyl-N-[(4-methylthi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.12	1.16	-10.78	3	5	0	85	297.405	4	↓ MOL2 SDF SMILES Flexibase

40348230

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-chloro-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 2-amino-4-chloro-N-[(4-methylthi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.38	1.12	-9.61	3	5	0	85	317.823	4	↓ MOL2 SDF SMILES Flexibase

40348231

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-fluoro-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 5-amino-2-fluoro-N-[(4-methylthi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.46	-0.09	-11.41	3	5	0	85	301.368	4	↓ MOL2 SDF SMILES Flexibase

40348232

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-ethyl-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 5-amino-2-ethyl-N-[(4-methylthia…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.21	1.95	-10.16	3	5	0	85	311.432	5	↓ MOL2 SDF SMILES Flexibase

40348233

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4,6-dichloro-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 2-amino-4,6-dichloro-N-[(4-methy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.98	1.87	-9.5	3	5	0	85	352.268	4	↓ MOL2 SDF SMILES Flexibase

40348234

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-5-methyl-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 3-amino-5-methyl-N-[(4-methylthi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.74	0.82	-11	3	5	0	85	297.405	4	↓ MOL2 SDF SMILES Flexibase

40348236

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-bromo-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 4-amino-2-bromo-N-[(4-methylthia…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.10	0.91	-11.26	3	5	0	85	362.274	4	↓ MOL2 SDF SMILES Flexibase

40348237

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-cyano-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 4-amino-2-cyano-N-[(4-methylthia…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.05	-0.08	-13.4	3	6	0	109	308.388	4	↓ MOL2 SDF SMILES Flexibase

40348238

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-methyl-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 2-amino-4-methyl-N-[(4-methylthi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.15	1.21	-10.32	3	5	0	85	297.405	4	↓ MOL2 SDF SMILES Flexibase

40348239

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-methyl-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 4-amino-2-methyl-N-[(4-methylthi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.74	1.07	-10.95	3	5	0	85	297.405	4	↓ MOL2 SDF SMILES Flexibase

40348240

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-2,3-dimethyl-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 6-amino-2,3-dimethyl-N-[(4-methy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	1.85	-9.75	3	5	0	85	311.432	4	↓ MOL2 SDF SMILES Flexibase

40348241

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2,6-dichloro-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 4-amino-2,6-dichloro-N-[(4-methy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.58	1.4	-11.1	3	5	0	85	352.268	4	↓ MOL2 SDF SMILES Flexibase

40348242

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-3-chloro-2-fluoro-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 5-amino-3-chloro-2-fluoro-N-[(4-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.06	0.41	-10.89	3	5	0	85	335.813	4	↓ MOL2 SDF SMILES Flexibase

40348243

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-methoxy-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 4-amino-2-methoxy-N-[(4-methylth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.35	-0.02	-12.85	3	6	0	94	313.404	5	↓ MOL2 SDF SMILES Flexibase

40348244

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-bromo-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 2-amino-4-bromo-N-[(4-methylthia…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.51	1.22	-9.54	3	5	0	85	362.274	4	↓ MOL2 SDF SMILES Flexibase

40348245

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2,6-dibromo-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 4-amino-2,6-dibromo-N-[(4-methyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.84	1.63	-10.59	3	5	0	85	441.17	4	↓ MOL2 SDF SMILES Flexibase

40348246

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4,6-dibromo-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 2-amino-4,6-dibromo-N-[(4-methyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.25	2.11	-9.1	3	5	0	85	441.17	4	↓ MOL2 SDF SMILES Flexibase

40348247

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-2,6-dimethyl-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 3-amino-2,6-dimethyl-N-[(4-methy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	1.73	-10.24	3	5	0	85	311.432	4	↓ MOL2 SDF SMILES Flexibase

40348248

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-ethyl-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 3-amino-4-ethyl-N-[(4-methylthia…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.61	1.69	-10.88	3	5	0	85	311.432	5	↓ MOL2 SDF SMILES Flexibase

40348249

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-6-methyl-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 2-amino-6-methyl-N-[(4-methylthi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.12	1.52	-9.82	3	5	0	85	297.405	4	↓ MOL2 SDF SMILES Flexibase

40348254

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2,6-difluoro-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 4-amino-2,6-difluoro-N-[(4-methy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.55	0.43	-13.08	3	5	0	85	319.358	4	↓ MOL2 SDF SMILES Flexibase

40348255

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-5-fluoro-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 2-amino-5-fluoro-N-[(4-methylthi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.86	0.66	-10.94	3	5	0	85	301.368	4	↓ MOL2 SDF SMILES Flexibase

40348256

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-5-chloro-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 2-amino-5-chloro-N-[(4-methylthi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.38	1.12	-10.31	3	5	0	85	317.823	4	↓ MOL2 SDF SMILES Flexibase

40348257

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-5-bromo-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 2-amino-5-bromo-N-[(4-methylthia…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.51	1.22	-10.23	3	5	0	85	362.274	4	↓ MOL2 SDF SMILES Flexibase

40348258

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-chloro-4-fluoro-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 5-amino-2-chloro-4-fluoro-N-[(4-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.47	0.31	-9.16	3	5	0	85	335.813	4	↓ MOL2 SDF SMILES Flexibase

40438015

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-2-chloro-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 4-bromo-2-chloro-N-[(4-methylthi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.70	2.96	-8.38	1	4	0	59	381.704	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.70	3.09	-41.63	0	4	-1	61	380.696	4	↓ MOL2 SDF SMILES Flexibase

40438017

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-acetyl-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 3-acetyl-N-[(4-methylthiazol-2-y…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.16	2.77	-17.57	1	5	0	76	310.4	5	↓ MOL2 SDF SMILES Flexibase

40438019

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 2-bromo-N-[(4-methylthiazol-2-yl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.05	3.04	-10.6	1	4	0	59	347.259	4	↓ MOL2 SDF SMILES Flexibase

40438021

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-4-methyl-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 2-bromo-4-methyl-N-[(4-methylthi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	3.7	-10.26	1	4	0	59	361.286	4	↓ MOL2 SDF SMILES Flexibase

40446783

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dibromo-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 2,4-dibromo-N-[(4-methylthiazol-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.84	3.65	-8.82	1	4	0	59	426.155	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.84	3.28	-40.77	0	4	-1	61	425.147	4	↓ MOL2 SDF SMILES Flexibase

40446784

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-4-fluoro-N-[(4-methylthiazol-2-yl)methyl]benzenesulfonamide 2-bromo-4-fluoro-N-[(4-methylthi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.19	3.1	-9.15	1	4	0	59	365.249	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 77486
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 = 77486 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=77486&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": "77486"        

    });
</script>

ZINC 12

User Information

Navigation

About

Search

Subsets

Help

Social

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations