UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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: 1-methyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrazole-4-sulfonamide 1-methyl-N-[(6R)-6-methyl-4,5,6,…

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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) 2.78 4.14 -13.62 1 6 0 80 312.42 2 ↓
Mid Mid (pH 6-8) 1.85 3.6 -49.27 0 6 -1 79 311.412 3 ↓

Analogs

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Popular Name: 1-methyl-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrazole-4-sulfonamide 1-methyl-N-[(6S)-6-methyl-4,5,6,…

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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) 2.78 4.14 -13.59 1 6 0 80 312.42 2 ↓
Mid Mid (pH 6-8) 1.85 3.6 -49.26 0 6 -1 79 311.412 3 ↓

Analogs

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Popular Name: N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyridine-3-sulfonamide N-[(6R)-6-methyl-4,5,6,7-tetrahy…

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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) 3.33 4.64 -12.05 1 5 0 75 309.416 2 ↓
Mid Mid (pH 6-8) 2.40 4.1 -48.75 0 5 -1 74 308.408 3 ↓
Lo Low (pH 4.5-6) 3.33 5.1 -38.8 2 5 1 76 310.424 2 ↓

Analogs

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Popular Name: N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyridine-3-sulfonamide N-[(6S)-6-methyl-4,5,6,7-tetrahy…

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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) 3.33 4.64 -12.04 1 5 0 75 309.416 2 ↓
Mid Mid (pH 6-8) 2.40 4.1 -48.72 0 5 -1 74 308.408 3 ↓
Lo Low (pH 4.5-6) 3.33 5.1 -38.82 2 5 1 76 310.424 2 ↓

Analogs

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Popular Name: 5-amino-3-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)imidazole-4-sulfonamide 5-amino-3-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) 1.88 4.64 -37.7 4 7 1 107 314.416 2 ↓
Hi High (pH 8-9.5) 0.95 3.61 -50.54 2 7 -1 105 312.4 3 ↓
Mid Mid (pH 6-8) 0.95 4.11 -50.97 3 7 0 106 313.408 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

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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: 1-(4-aminophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanesulfonamide 1-(4-aminophenyl)-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) 3.06 4.45 -13.31 3 5 0 88 323.443 3 ↓
Hi High (pH 8-9.5) 2.13 3.86 -52.46 2 5 -1 87 322.435 4 ↓

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: 1-(3-aminophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanesulfonamide 1-(3-aminophenyl)-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) 3.04 4.44 -13.15 3 5 0 88 323.443 3 ↓
Hi High (pH 8-9.5) 2.11 3.85 -52.1 2 5 -1 87 322.435 4 ↓

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: 3-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-4-sulfonamide 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) 1.84 1.3 -36.09 5 7 1 118 300.389 2 ↓
Hi High (pH 8-9.5) 0.91 0.62 -47.38 3 7 -1 116 298.373 3 ↓
Mid Mid (pH 6-8) 1.84 1.15 -13.02 4 7 0 117 299.381 2 ↓

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-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide 4-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) 3.28 2.65 -12.28 3 5 0 88 315.445 2 ↓
Mid Mid (pH 6-8) 3.28 2.5 -54.26 4 5 1 90 316.453 2 ↓
Mid Mid (pH 6-8) 2.36 2.11 -50.1 2 5 -1 87 314.437 3 ↓

Analogs

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Popular Name: 5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylsulfamoyl)thiophene-2-carboxylic 5-(4,5,6,7-tetrahydro-1,3-benzot…

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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) 3.68 5.52 -50.93 1 6 -1 102 343.431 3 ↓
Mid Mid (pH 6-8) 2.75 4.99 -99.7 0 6 -2 101 342.423 4 ↓

Analogs

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Popular Name: (2S)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylsulfamoyl)propanoic (2S)-2-(4,5,6,7-tetrahydro-1,3-b…

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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) 2.00 4.13 -59.79 1 6 -1 102 289.358 3 ↓
Hi High (pH 8-9.5) 1.07 3.63 -116.87 0 6 -2 101 288.35 4 ↓

Analogs

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Popular Name: (2R)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylsulfamoyl)propanoic (2R)-2-(4,5,6,7-tetrahydro-1,3-b…

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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) 2.00 4.59 -56.14 1 6 -1 102 289.358 3 ↓
Hi High (pH 8-9.5) 1.07 4.01 -117.36 0 6 -2 101 288.35 4 ↓

Analogs

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.49 5.04 -20.16 1 6 0 89 318.42 6 ↓
Hi High (pH 8-9.5) 1.56 4.55 -53.59 0 6 -1 87 317.412 7 ↓

Analogs

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Popular Name: 4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic 4-(4,5,6,7-tetrahydro-1,3-benzot…

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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) 2.58 4.11 -55.95 2 7 -1 118 326.379 3 ↓
Mid Mid (pH 6-8) 1.65 3.57 -107.38 1 7 -2 117 325.371 4 ↓

Analogs

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Popular Name: 4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylsulfamoyl)butanoic 4-(4,5,6,7-tetrahydro-1,3-benzot…

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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) 2.18 4.95 -58.02 1 6 -1 102 303.385 5 ↓
Hi High (pH 8-9.5) 1.25 4.41 -103.72 0 6 -2 101 302.377 6 ↓

Analogs

44510000
44510000

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylsulfamoyl)acetic 2-(4,5,6,7-tetrahydro-1,3-benzot…

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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) 1.64 3.41 -58.44 1 6 -1 102 275.331 3 ↓
Hi High (pH 8-9.5) 0.71 2.86 -111.08 0 6 -2 101 274.323 4 ↓

Analogs

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Popular Name: 5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylsulfamoyl)furan-2-carboxylic 5-(4,5,6,7-tetrahydro-1,3-benzot…

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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) 3.04 4.75 -54.95 1 7 -1 116 327.363 3 ↓
Hi High (pH 8-9.5) 2.11 4.22 -105.52 0 7 -2 114 326.355 4 ↓
Mid Mid (pH 6-8) 2.11 4.32 -49.37 2 7 0 114 328.371 4 ↓

Analogs

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Popular Name: 2-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanesulfonamide 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) 1.20 0.83 -55.57 4 5 1 90 262.38 3 ↓
Mid Mid (pH 6-8) 0.27 0.3 -66.78 3 5 0 89 261.372 4 ↓

Analogs

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Popular Name: 3-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propane-1-sulfonamide 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) 1.47 1.62 -55.87 4 5 1 90 276.407 4 ↓
Hi High (pH 8-9.5) 0.54 1.08 -71.9 3 5 0 89 275.399 5 ↓

Analogs

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Popular Name: 2-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiazole-5-sulfonamide 2-chloro-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) 3.94 3.49 -9.46 1 5 0 75 335.863 2 ↓
Mid Mid (pH 6-8) 3.02 2.94 -42.64 0 5 -1 74 334.855 3 ↓

Analogs

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Popular Name: 2-chloro-4-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiazole-5-sulfonamide 2-chloro-4-methyl-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) 4.17 4.14 -10.12 1 5 0 75 349.89 2 ↓
Mid Mid (pH 6-8) 3.24 3.61 -43.65 0 5 -1 74 348.882 3 ↓

Analogs

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Popular Name: 2-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-5-sulfonamide 2-chloro-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) 3.14 3.64 -9.39 1 6 0 88 330.822 2 ↓
Mid Mid (pH 6-8) 2.22 3.1 -39.48 0 6 -1 87 329.814 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-4-sulfonamide 2-chloro-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) 3.65 4.48 -10.84 1 5 0 75 329.834 2 ↓
Mid Mid (pH 6-8) 2.73 3.94 -44.11 0 5 -1 74 328.826 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperazine-1-sulfonamide N-(4,5,6,7-tetrahydro-1,3-benzot…

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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) 1.69 2.6 -47.98 3 6 1 82 303.433 2 ↓
Hi High (pH 8-9.5) 0.76 0.74 -47.43 1 6 -1 76 301.417 3 ↓
Mid Mid (pH 6-8) 1.69 1.33 -11.09 2 6 0 78 302.425 2 ↓

Analogs

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Popular Name: 6-hydrazino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-sulfonamide 6-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) 2.44 2.61 -16.45 4 7 0 113 325.419 3 ↓
Hi High (pH 8-9.5) 1.51 2.14 -51.52 3 7 -1 112 324.411 4 ↓
Mid Mid (pH 6-8) 1.51 2.62 -47.21 4 7 0 113 325.419 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Draw Identity 99% 90% 80% 70%

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 ↓

Parameters Provided:

ring.id = 2331
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 = 2331 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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