Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_enjrdo2sq154unhmqudf4cspl1, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenyl)sulfonylamino-N-(2-methoxyethyl)benzothiazole-6-carboxamide 2-(4-chlorophenyl)sulfonylamino-…

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.09 -7.34 -14.83 2 7 0 97 425.919 7 ↓
Hi High (pH 8-9.5) 3.09 -6.77 -41.07 1 7 -1 99 424.911 7 ↓
Lo Low (pH 4.5-6) 4.02 4.25 -14.41 2 7 0 101 425.919 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-amino-1,3-benzothiazol-2-yl)-4-chloro-benzenesulfonamide N-(6-amino-1,3-benzothiazol-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.99 3.88 -43.05 2 5 -1 87 338.821 3 ↓
Mid Mid (pH 6-8) 3.92 4.28 -16.34 3 5 0 88 339.829 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-amino-1,3-benzothiazol-2-yl)-4-fluoro-benzenesulfonamide N-(6-amino-1,3-benzothiazol-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.48 3.43 -42.58 2 5 -1 87 322.366 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzothiazol-2-yl)-3,5-difluoro-benzenesulfonamide N-(1,3-benzothiazol-2-yl)-3,5-di…

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.52 5.29 -42.71 0 4 -1 61 325.341 3 ↓
Mid Mid (pH 6-8) 4.44 5.59 -11.51 1 4 0 62 326.349 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzothiazol-2-yl)-3-methylbenzenesulfonamide N-(1,3-benzothiazol-2-yl)-3-meth…

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.68 5.89 -52.2 0 4 -1 61 303.388 3 ↓
Mid Mid (pH 6-8) 4.61 6.12 -15.25 1 4 0 62 304.396 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzothiazol-2-yl)-3-chloro-benzenesulfonamide N-(1,3-benzothiazol-2-yl)-3-chlo…

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.91 5.68 -47.79 0 4 -1 61 323.806 3 ↓
Mid Mid (pH 6-8) 4.84 5.97 -14.03 1 4 0 62 324.814 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-acetyl-N-(1,3-benzothiazol-2-yl)benzenesulfonamide 4-acetyl-N-(1,3-benzothiazol-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.16 5.72 -50.87 0 5 -1 78 331.398 4 ↓
Mid Mid (pH 6-8) 4.09 5.88 -17.26 1 5 0 79 332.406 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzothiazol-2-yl)-2-methoxy-benzenesulfonamide N-(1,3-benzothiazol-2-yl)-2-meth…

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.27 5.02 -57.65 0 5 -1 70 319.387 4 ↓
Mid Mid (pH 6-8) 4.20 5.24 -18.79 1 5 0 72 320.395 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzothiazol-2-yl)-2-chloro-benzenesulfonamide N-(1,3-benzothiazol-2-yl)-2-chlo…

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.89 5.73 -51.65 0 4 -1 61 323.806 3 ↓
Mid Mid (pH 6-8) 4.82 6.02 -16.04 1 4 0 62 324.814 2 ↓

Analogs

7422624
7422624

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methoxy-benzenesulfonamide N-(6-ethoxy-1,3-benzothiazol-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.68 5.23 -55.42 0 6 -1 80 363.44 6 ↓
Mid Mid (pH 6-8) 4.61 5.53 -15.53 1 6 0 81 364.448 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-nitro-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)benzenesulfonamide 4-nitro-N-(4,5,6-trifluoro-1,3-b…

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.54 6.14 -36.03 0 7 -1 107 388.328 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)benzenesulfonamide N-(4,5,6-trifluoro-1,3-benzothia…

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.58 5.42 -44.75 0 4 -1 61 343.331 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)benzenesulfonamide 4-methoxy-N-(4,5,6-trifluoro-1,3…

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.64 4.72 -42.85 0 5 -1 70 373.357 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-difluoro-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)benzenesulfonamide 2,4-difluoro-N-(4,5,6-trifluoro-…

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.84 5.55 -41.12 0 4 -1 61 379.311 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)benzenesulfonamide 3-fluoro-N-(4,5,6-trifluoro-1,3-…

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.72 5.49 -42.05 0 4 -1 61 361.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-difluoro-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)benzenesulfonamide 3,5-difluoro-N-(4,5,6-trifluoro-…

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.84 5.56 -36.95 0 4 -1 61 379.311 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-acetyl-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)benzenesulfonamide 4-acetyl-N-(4,5,6-trifluoro-1,3-…

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.48 5.91 -44.27 0 5 -1 78 385.368 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)benzenesulfonamide 2-methoxy-N-(4,5,6-trifluoro-1,3…

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.59 5.21 -50.38 0 5 -1 70 373.357 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-cyano-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)benzenesulfonamide 4-cyano-N-(4,5,6-trifluoro-1,3-b…

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.34 5.82 -39.04 0 5 -1 85 368.341 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)benzenesulfonamide 2-chloro-N-(4,5,6-trifluoro-1,3-…

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.21 5.99 -45.37 0 4 -1 61 377.776 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-nitro-benzenesulfonamide N-(6-chloro-1,3-benzothiazol-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.83 7.2 -54.35 0 7 -1 107 368.803 4 ↓
Lo Low (pH 4.5-6) 4.75 7.51 -17.41 1 7 0 108 369.811 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-acetyl-N-(6-chloro-1,3-benzothiazol-2-yl)benzenesulfonamide 4-acetyl-N-(6-chloro-1,3-benzoth…

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.81 6.24 -44.87 0 5 -1 78 365.843 4 ↓
Lo Low (pH 4.5-6) 4.74 6.39 -15.78 1 5 0 79 366.851 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxy-benzenesulfonamide N-(6-chloro-1,3-benzothiazol-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.92 5.53 -51.17 0 5 -1 70 353.832 4 ↓
Lo Low (pH 4.5-6) 4.85 5.83 -14.16 1 5 0 72 354.84 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-chloro-1,3-benzothiazol-2-yl)-4-cyano-benzenesulfonamide N-(6-chloro-1,3-benzothiazol-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.67 6.14 -39.5 0 5 -1 85 348.816 3 ↓
Lo Low (pH 4.5-6) 4.60 6.45 -10.67 1 5 0 86 349.824 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-difluoro-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)benzenesulfonamide 2,5-difluoro-N-(4,5,6-trifluoro-…

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.84 5.55 -44.09 0 4 -1 61 379.311 3 ↓

Analogs

36576585
36576585

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-fluorophenyl)sulfonylamino]-N-[(1S)-2-hydroxy-1-methyl-ethyl]-1,3-benzothiazole-6-carboxamide 2-[(4-fluorophenyl)sulfonylamino…

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.29 2.18 -15.14 3 7 0 108 409.464 6 ↓
Hi High (pH 8-9.5) 2.29 2.24 -40.83 2 7 -1 110 408.456 6 ↓
Lo Low (pH 4.5-6) 3.22 2.34 -14.62 3 7 0 112 409.464 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)benzenesulfonamide 4-bromo-N-(6-bromo-1,3-benzothia…

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.86 6.01 -8.18 1 4 0 59 448.161 3 ↓
Hi High (pH 8-9.5) 4.86 6.08 -35.77 0 4 -1 61 447.153 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-bromo-1,3-benzothiazol-2-yl)-3,4-dimethoxy-benzenesulfonamide N-(6-bromo-1,3-benzothiazol-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.69 5.19 -12.01 1 6 0 78 429.317 5 ↓
Hi High (pH 8-9.5) 3.69 5.24 -39.19 0 6 -1 80 428.309 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzenesulfonamide 4-ethyl-N-(4-methyl-1,3-benzothi…

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.58 6.96 -11.29 1 4 0 59 332.45 4 ↓
Hi High (pH 8-9.5) 4.58 7.01 -46.54 0 4 -1 61 331.442 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-propyl-benzenesulfonamide N-(4-methyl-1,3-benzothiazol-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.97 7.74 -11.14 1 4 0 59 346.477 5 ↓
Hi High (pH 8-9.5) 4.97 7.79 -46.26 0 4 -1 61 345.469 5 ↓

Analogs

14229786
14229786

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-sec-butyl-benzenesulfonamide N-(4-methyl-1,3-benzothiazol-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.52 8.11 -10.92 1 4 0 59 360.504 5 ↓
Hi High (pH 8-9.5) 5.52 8.16 -46.13 0 4 -1 61 359.496 5 ↓

Analogs

14229783
14229783

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-sec-butyl-benzenesulfonamide N-(4-methyl-1,3-benzothiazol-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.52 8.11 -10.88 1 4 0 59 360.504 5 ↓
Hi High (pH 8-9.5) 5.52 8.16 -46.2 0 4 -1 61 359.496 5 ↓

Analogs

14229835
14229835

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzenesulfonamide 2,4-dimethyl-N-(4-methyl-1,3-ben…

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.49 7.16 -11.62 1 4 0 59 332.45 3 ↓
Hi High (pH 8-9.5) 4.49 7.21 -46.78 0 4 -1 61 331.442 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzenesulfonamide 3,4-dimethoxy-N-(4-methyl-1,3-be…

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.31 5.1 -50.2 0 6 -1 80 363.44 5 ↓
Mid Mid (pH 6-8) 4.24 5.36 -15.91 1 6 0 81 364.448 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-dichloro-N-(4-methyl-1,3-benzothiazol-2-yl)benzenesulfonamide 2,5-dichloro-N-(4-methyl-1,3-ben…

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.95 6.97 -47.93 0 4 -1 61 372.278 3 ↓
Mid Mid (pH 6-8) 5.87 7.24 -13.43 1 4 0 62 373.286 2 ↓

Analogs

41017609
41017609

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methyl-1,3-benzothiazol-2-yl)-3-nitro-benzenesulfonamide N-(4-methyl-1,3-benzothiazol-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.60 6.6 -49.18 0 7 -1 107 348.385 4 ↓
Mid Mid (pH 6-8) 4.52 6.87 -16.31 1 7 0 108 349.393 3 ↓

Analogs

14229792
14229792

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4,6-trimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzenesulfonamide 2,4,6-trimethyl-N-(4-methyl-1,3-…

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.86 8.23 -50.21 0 4 -1 61 345.469 3 ↓
Mid Mid (pH 6-8) 5.79 8.5 -13.55 1 4 0 62 346.477 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-4-methyl-benzenesulfonamide N-[6-(difluoromethoxy)-1,3-benzo…

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.30 -3.49 -12.84 1 5 0 68 370.402 5 ↓
Hi High (pH 8-9.5) 4.30 -2.92 -44.05 0 5 -1 70 369.394 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzothiazol-2-yl)-4-methoxy-3-methyl-benzenesulfonamide N-(1,3-benzothiazol-2-yl)-4-meth…

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.69 5.28 -50.36 0 5 -1 70 333.414 4 ↓
Mid Mid (pH 6-8) 4.62 5.51 -14.93 1 5 0 72 334.422 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-chloro-1,3-benzothiazol-2-yl)-4-(2-methoxyethoxy)benzenesulfonamide N-(6-chloro-1,3-benzothiazol-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.86 5.24 -45.45 0 6 -1 80 397.885 7 ↓
Lo Low (pH 4.5-6) 4.79 5.55 -12.4 1 6 0 81 398.893 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methoxy-5-nitro-benzenesulfonamide N-(4,6-dimethyl-1,3-benzothiazol…

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.00 7.03 -53.92 0 8 -1 116 392.438 5 ↓
Mid Mid (pH 6-8) 4.93 7.32 -18.52 1 8 0 117 393.446 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-benzenesulfonamide 2-methoxy-N-(4-methyl-1,3-benzot…

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.60 6.38 -53.77 0 8 -1 116 378.411 5 ↓
Mid Mid (pH 6-8) 4.53 6.64 -19.12 1 8 0 117 379.419 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzothiazol-2-yl)-2-methoxy-5-nitro-benzenesulfonamide N-(1,3-benzothiazol-2-yl)-2-meth…

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.20 5.73 -54.27 0 8 -1 116 364.384 5 ↓
Mid Mid (pH 6-8) 4.13 5.95 -19.49 1 8 0 117 365.392 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzenesulfonamide 4-hydroxy-N-(6-methyl-1,3-benzot…

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.21 3.03 -49.69 1 5 -1 81 319.387 3 ↓
Mid Mid (pH 6-8) 4.13 3.36 -12.66 2 5 0 83 320.395 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzothiazol-2-yl)-4-hydroxy-benzenesulfonamide N-(1,3-benzothiazol-2-yl)-4-hydr…

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.78 2.31 -48.88 1 5 -1 81 305.36 3 ↓
Mid Mid (pH 6-8) 3.71 2.61 -15.37 2 5 0 83 306.368 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzothiazol-2-yl)-4-(methylamino)benzenesulfonamide N-(1,3-benzothiazol-2-yl)-4-(met…

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.12 4.04 -52.89 1 5 -1 73 318.403 4 ↓
Mid Mid (pH 6-8) 3.12 4.18 -12.69 2 5 0 71 319.411 4 ↓

Analogs

44243549
44243549

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-N-(6-methyl-1,3-benzothiazol-2-yl)benzenesulfonamide 3-bromo-N-(6-methyl-1,3-benzothi…

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.47 6.5 -48.32 0 4 -1 61 382.284 3 ↓
Mid Mid (pH 6-8) 4.47 6.65 -10.26 1 4 0 59 383.292 3 ↓

Analogs

44243549
44243549

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-N-(6-methyl-1,3-benzothiazol-2-yl)benzenesulfonamide 2-bromo-N-(6-methyl-1,3-benzothi…

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.45 6.59 -51.42 0 4 -1 61 382.284 3 ↓
Mid Mid (pH 6-8) 4.45 6.54 -11.57 1 4 0 59 383.292 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-(4-methyl-1,3-benzothiazol-2-yl)benzenesulfonamide 3-fluoro-N-(4-methyl-1,3-benzoth…

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.80 5.95 -48.68 0 4 -1 61 321.378 3 ↓
Mid Mid (pH 6-8) 4.73 6.22 -13.99 1 4 0 62 322.386 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-acetyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzenesulfonamide 4-acetyl-N-(4-methyl-1,3-benzoth…

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.56 6.28 -50.44 0 5 -1 78 345.425 4 ↓
Mid Mid (pH 6-8) 4.49 6.58 -16.82 1 5 0 79 346.433 3 ↓

Parameters Provided:

ring.id = 6946
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 = 6946 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=6946&filter.purchasability=annotated

Embed Link to Results