UCSF
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Analogs

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Popular Name: 2,4,6-trimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide 2,4,6-trimethyl-N-(4,5,6,7-tetra…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.13 8.18 -11.78 1 4 0 62 336.482 2 ↓
Mid Mid (pH 6-8) 4.20 7.65 -51.84 0 4 -1 61 335.474 3 ↓

Analogs

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Popular Name: 3-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide 3-amino-N-(4,5,6,7-tetrahydro-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.98 3.69 -13.2 3 5 0 88 309.416 2 ↓
Mid Mid (pH 6-8) 2.05 3.17 -53.41 2 5 -1 87 308.408 3 ↓

Analogs

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Popular Name: 2-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide 2-amino-N-(4,5,6,7-tetrahydro-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.36 4.07 -12.69 3 5 0 88 309.416 2 ↓
Mid Mid (pH 6-8) 2.43 3.52 -51.19 2 5 -1 87 308.408 3 ↓

Analogs

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Popular Name: 2-amino-4-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide 2-amino-4-fluoro-N-(4,5,6,7-tetr…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.50 4.14 -10.3 3 5 0 88 327.406 2 ↓
Mid Mid (pH 6-8) 2.57 3.59 -44.98 2 5 -1 87 326.398 3 ↓

Analogs

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Popular Name: 5-amino-2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide 5-amino-2-methyl-N-(4,5,6,7-tetr…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.38 4.46 -13.21 3 5 0 88 323.443 2 ↓
Mid Mid (pH 6-8) 2.45 3.94 -53.22 2 5 -1 87 322.435 3 ↓

Analogs

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Popular Name: 5-amino-2-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide 5-amino-2-chloro-N-(4,5,6,7-tetr…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.61 4.26 -13.77 3 5 0 88 343.861 2 ↓
Mid Mid (pH 6-8) 2.68 3.72 -53.36 2 5 -1 87 342.853 3 ↓

Analogs

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Popular Name: 4-amino-2-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide 4-amino-2-chloro-N-(4,5,6,7-tetr…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.61 4.26 -13.96 3 5 0 88 343.861 2 ↓
Hi High (pH 8-9.5) 2.68 3.73 -53.74 2 5 -1 87 342.853 3 ↓

Analogs

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Popular Name: 3-amino-4-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide 3-amino-4-chloro-N-(4,5,6,7-tetr…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.01 4.28 -10.79 3 5 0 88 343.861 2 ↓
Mid Mid (pH 6-8) 3.09 3.75 -47.68 2 5 -1 87 342.853 3 ↓

Analogs

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Popular Name: 3-amino-4-hydroxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide 3-amino-4-hydroxy-N-(4,5,6,7-tet…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.12 0.97 -13.16 4 6 0 109 325.415 2 ↓
Mid Mid (pH 6-8) 2.19 0.44 -51.58 3 6 -1 107 324.407 3 ↓

Analogs

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Popular Name: 3-amino-4-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide 3-amino-4-fluoro-N-(4,5,6,7-tetr…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.50 3.79 -10.82 3 5 0 88 327.406 2 ↓
Mid Mid (pH 6-8) 2.57 3.26 -47.1 2 5 -1 87 326.398 3 ↓

Analogs

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Popular Name: 3-amino-4-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide 3-amino-4-methyl-N-(4,5,6,7-tetr…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.78 4.47 -13.34 3 5 0 88 323.443 2 ↓
Mid Mid (pH 6-8) 2.86 3.95 -53.92 2 5 -1 87 322.435 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide 3-amino-2-methyl-N-(4,5,6,7-tetr…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.76 4.57 -13.21 3 5 0 88 323.443 2 ↓
Mid Mid (pH 6-8) 2.83 4.04 -53.09 2 5 -1 87 322.435 3 ↓

Analogs

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Popular Name: 2-amino-4-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide 2-amino-4-chloro-N-(4,5,6,7-tetr…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.01 4.59 -10.33 3 5 0 88 343.861 2 ↓
Mid Mid (pH 6-8) 3.09 4.04 -45.57 2 5 -1 87 342.853 3 ↓

Analogs

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Popular Name: 5-amino-2-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide 5-amino-2-fluoro-N-(4,5,6,7-tetr…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.09 3.76 -15.29 3 5 0 88 327.406 2 ↓
Mid Mid (pH 6-8) 2.16 3.23 -56.74 2 5 -1 87 326.398 3 ↓

Analogs

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Popular Name: 3-amino-5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide 3-amino-5-methyl-N-(4,5,6,7-tetr…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.38 4.35 -13.26 3 5 0 88 323.443 2 ↓
Mid Mid (pH 6-8) 2.45 3.83 -53.94 2 5 -1 87 322.435 3 ↓

Analogs

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Popular Name: 4-amino-2-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide 4-amino-2-bromo-N-(4,5,6,7-tetra…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.74 4.41 -13.71 3 5 0 88 388.312 2 ↓
Hi High (pH 8-9.5) 2.81 3.87 -52.92 2 5 -1 87 387.304 3 ↓

Analogs

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Popular Name: 2-amino-4-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide 2-amino-4-methyl-N-(4,5,6,7-tetr…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.78 4.73 -12.64 3 5 0 88 323.443 2 ↓
Mid Mid (pH 6-8) 2.86 4.19 -51.31 2 5 -1 87 322.435 3 ↓

Analogs

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Popular Name: 4-amino-2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide 4-amino-2-methyl-N-(4,5,6,7-tetr…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.38 4.45 -13.34 3 5 0 88 323.443 2 ↓
Hi High (pH 8-9.5) 2.45 3.93 -53.42 2 5 -1 87 322.435 3 ↓

Analogs

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Popular Name: 2-amino-4-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide 2-amino-4-bromo-N-(4,5,6,7-tetra…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.14 4.69 -10.28 3 5 0 88 388.312 2 ↓
Mid Mid (pH 6-8) 3.22 4.15 -45.46 2 5 -1 87 387.304 3 ↓

Analogs

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Popular Name: 2-amino-6-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide 2-amino-6-methyl-N-(4,5,6,7-tetr…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.76 4.98 -14.25 3 5 0 88 323.443 2 ↓
Mid Mid (pH 6-8) 2.83 4.52 -50.06 2 5 -1 87 322.435 3 ↓

Analogs

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Popular Name: 2-amino-5-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide 2-amino-5-fluoro-N-(4,5,6,7-tetr…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.50 4.14 -12.51 3 5 0 88 327.406 2 ↓
Mid Mid (pH 6-8) 2.57 3.59 -48.83 2 5 -1 87 326.398 3 ↓

Analogs

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Popular Name: 2-amino-5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide 2-amino-5-chloro-N-(4,5,6,7-tetr…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.01 4.59 -11.96 3 5 0 88 343.861 2 ↓
Mid Mid (pH 6-8) 3.09 4.04 -48.31 2 5 -1 87 342.853 3 ↓

Analogs

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Popular Name: 2-amino-5-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide 2-amino-5-bromo-N-(4,5,6,7-tetra…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.14 4.69 -11.81 3 5 0 88 388.312 2 ↓
Mid Mid (pH 6-8) 3.22 4.15 -48.11 2 5 -1 87 387.304 3 ↓

Analogs

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Popular Name: 4-hydrazino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide 4-hydrazino-N-(4,5,6,7-tetrahydr…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.17 3.51 -13.71 4 6 0 100 324.431 3 ↓
Mid Mid (pH 6-8) 2.24 2.98 -53.87 3 6 -1 99 323.423 4 ↓
Lo Low (pH 4.5-6) 3.17 3.31 -59.7 5 6 1 102 325.439 3 ↓

Analogs

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Popular Name: 2-hydrazino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide 2-hydrazino-N-(4,5,6,7-tetrahydr…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.12 3.81 -13.32 4 6 0 100 324.431 3 ↓
Mid Mid (pH 6-8) 2.19 3.26 -51.32 3 6 -1 99 323.423 4 ↓
Lo Low (pH 4.5-6) 3.12 3.61 -50.5 5 6 1 102 325.439 3 ↓

Analogs

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Popular Name: 4-(methylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide 4-(methylamino)-N-(4,5,6,7-tetra…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.78 4.63 -13.16 2 5 0 74 323.443 3 ↓
Mid Mid (pH 6-8) 2.85 4.1 -53.52 1 5 -1 73 322.435 4 ↓

Analogs

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Popular Name: 4-(aminomethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide 4-(aminomethyl)-N-(4,5,6,7-tetra…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.11 3.85 -58.52 4 5 1 90 324.451 3 ↓
Mid Mid (pH 6-8) 2.18 3.33 -87.06 3 5 0 89 323.443 4 ↓

Analogs

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Popular Name: 4-hydroxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide 4-hydroxy-N-(4,5,6,7-tetrahydro-…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.44 2.97 -12.5 2 5 0 83 310.4 2 ↓
Mid Mid (pH 6-8) 2.52 2.44 -50.35 1 5 -1 81 309.392 3 ↓

Parameters Provided:

ring.id = 232538
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 232538 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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