UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(2-methoxyethyl)-4-methyl-2-(p-tolylsulfonylamino)thiazole-5-carboxamide N-(2-methoxyethyl)-4-methyl-2-(p…

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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 -6.84 -13.53 2 7 0 97 369.468 7 ↓
Hi High (pH 8-9.5) 1.84 -6.29 -41.75 1 7 -1 99 368.46 7 ↓

Analogs

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Popular Name: 4-methyl-2-(p-tolylsulfonylamino)thiazole-5-carboxamide 4-methyl-2-(p-tolylsulfonylamino…

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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) 1.49 -7.14 -11.84 3 6 0 102 311.388 4 ↓
Hi High (pH 8-9.5) 1.49 -6.58 -40.58 2 6 -1 104 310.38 4 ↓

Analogs

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Popular Name: 2-(4-methoxyphenyl)sulfonylamino-N,4-dimethyl-thiazole-5-carboxamide 2-(4-methoxyphenyl)sulfonylamino…

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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 -6.55 -12.63 2 7 0 97 341.414 5 ↓
Hi High (pH 8-9.5) 1.47 -5.99 -40.17 1 7 -1 99 340.406 5 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-2-(4-methoxyphenyl)sulfonylamino-4-methyl-thiazole-5-carboxamide N-(2-methoxyethyl)-2-(4-methoxyp…

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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) 1.45 -7.14 -13.95 2 8 0 106 385.467 8 ↓
Hi High (pH 8-9.5) 1.45 -6.59 -40.3 1 8 -1 108 384.459 8 ↓

Analogs

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Popular Name: methyl (2-{[(4-chlorophenyl)sulfonyl]amino}-1,3-thiazol-4-yl)acetate methyl (2-{[(4-chlorophenyl)sulf…

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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) 2.72 -3.43 -15.11 1 6 0 85 346.817 6 ↓
Hi High (pH 8-9.5) 2.72 -2.87 -46.49 0 6 -1 87 345.809 6 ↓
Lo Low (pH 4.5-6) 3.64 5.03 -16.64 1 6 0 89 346.817 5 ↓

Analogs

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Popular Name: 4-amino-N-(5-bromothiazol-2-yl)-2-nitro-benzenesulfonamide 4-amino-N-(5-bromothiazol-2-yl)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.65 2.7 -52.07 2 8 -1 133 378.209 4 ↓
Lo Low (pH 4.5-6) 1.65 2.6 -12.88 3 8 0 131 379.217 4 ↓

Analogs

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Popular Name: 2-amino-N-(5-bromothiazol-2-yl)-5-nitro-benzenesulfonamide 2-amino-N-(5-bromothiazol-2-yl)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.06 2.34 -40.82 2 8 -1 133 378.209 4 ↓
Lo Low (pH 4.5-6) 2.06 2.28 -15.8 3 8 0 131 379.217 4 ↓

Analogs

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Popular Name: 2-amino-N-(5-bromothiazol-2-yl)-4-nitro-benzenesulfonamide 2-amino-N-(5-bromothiazol-2-yl)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.06 2.33 -34.05 2 8 -1 133 378.209 4 ↓
Lo Low (pH 4.5-6) 2.06 2.26 -11.19 3 8 0 131 379.217 4 ↓

Analogs

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Popular Name: 5-amino-N-(5-bromothiazol-2-yl)-2-nitro-benzenesulfonamide 5-amino-N-(5-bromothiazol-2-yl)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.65 2.7 -53.24 2 8 -1 133 378.209 4 ↓
Lo Low (pH 4.5-6) 2.58 3.24 -17.52 3 8 0 134 379.217 3 ↓

Analogs

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Popular Name: N-(5-bromothiazol-2-yl)-4-(methylamino)-2-nitro-benzenesulfonamide N-(5-bromothiazol-2-yl)-4-(methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.44 3.63 -51.42 1 8 -1 119 392.236 5 ↓
Lo Low (pH 4.5-6) 3.36 4.18 -16 2 8 0 120 393.244 4 ↓

Analogs

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Popular Name: N-(5-bromothiazol-2-yl)-2-(methylamino)-5-nitro-benzenesulfonamide N-(5-bromothiazol-2-yl)-2-(methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.44 3.3 -42.05 1 8 -1 119 392.236 5 ↓
Lo Low (pH 4.5-6) 3.36 3.85 -14.06 2 8 0 120 393.244 4 ↓

Analogs

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Popular Name: N-(5-bromothiazol-2-yl)-2-(methylamino)-4-nitro-benzenesulfonamide N-(5-bromothiazol-2-yl)-2-(methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.44 3.29 -35.01 1 8 -1 119 392.236 5 ↓
Lo Low (pH 4.5-6) 2.44 3.25 -10.99 2 8 0 117 393.244 5 ↓

Analogs

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Popular Name: N-(5-bromothiazol-2-yl)-4-(methylamino)-3-nitro-benzenesulfonamide N-(5-bromothiazol-2-yl)-4-(methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.44 3.13 -42.05 1 8 -1 119 392.236 5 ↓
Lo Low (pH 4.5-6) 2.44 3.33 -14.05 2 8 0 117 393.244 5 ↓

Analogs

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Popular Name: N-(5-bromothiazol-2-yl)-4-(ethylamino)benzenesulfonamide N-(5-bromothiazol-2-yl)-4-(ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.92 2.99 -44 1 5 -1 73 361.266 5 ↓

Analogs

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Popular Name: N-(5-bromothiazol-2-yl)-4-(propylamino)benzenesulfonamide N-(5-bromothiazol-2-yl)-4-(propy…

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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) 3.43 3.75 -43.73 1 5 -1 73 375.293 6 ↓

Analogs

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Popular Name: N-(5-bromothiazol-2-yl)-2-(methylamino)benzenesulfonamide N-(5-bromothiazol-2-yl)-2-(methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.50 2.59 -43.86 1 5 -1 73 347.239 4 ↓

Analogs

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Popular Name: N-(5-bromothiazol-2-yl)-2-(ethylamino)benzenesulfonamide N-(5-bromothiazol-2-yl)-2-(ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.88 3.39 -44.33 1 5 -1 73 361.266 5 ↓

Analogs

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Popular Name: N-(5-bromothiazol-2-yl)-2-(propylamino)benzenesulfonamide N-(5-bromothiazol-2-yl)-2-(propy…

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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 4.15 -44.3 1 5 -1 73 375.293 6 ↓

Analogs

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Popular Name: N-(5-bromothiazol-2-yl)-5-(methylamino)-2-nitro-benzenesulfonamide N-(5-bromothiazol-2-yl)-5-(methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.44 3.62 -52.71 1 8 -1 119 392.236 5 ↓
Lo Low (pH 4.5-6) 3.36 4.16 -16.67 2 8 0 120 393.244 4 ↓

Analogs

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Popular Name: 2-amino-N-(5-bromothiazol-2-yl)-5-methylsulfonyl-benzenesulfonamide 2-amino-N-(5-bromothiazol-2-yl)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.97 -0.83 -49 2 7 -1 121 411.304 4 ↓
Lo Low (pH 4.5-6) 0.97 -0.9 -19.4 3 7 0 119 412.312 4 ↓

Analogs

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Popular Name: 2-amino-N-(5-bromothiazol-2-yl)-6-fluoro-4-nitro-benzenesulfonamide 2-amino-N-(5-bromothiazol-2-yl)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.15 2.56 -35.52 2 8 -1 133 396.199 4 ↓
Lo Low (pH 4.5-6) 2.15 2.72 -11.73 3 8 0 131 397.207 4 ↓

Analogs

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Popular Name: 3-[(1S)-1-(propylamino)ethyl]-N-thiazol-2-yl-benzenesulfonamide 3-[(1S)-1-(propylamino)ethyl]-N-…

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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) 2.73 4.78 -70.33 2 5 0 78 325.459 7 ↓
Mid Mid (pH 6-8) 2.73 4.99 -48.67 3 5 1 76 326.467 7 ↓

Analogs

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Popular Name: 3-[(1R)-1-(propylamino)ethyl]-N-thiazol-2-yl-benzenesulfonamide 3-[(1R)-1-(propylamino)ethyl]-N-…

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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) 2.73 4.78 -70.46 2 5 0 78 325.459 7 ↓
Mid Mid (pH 6-8) 2.73 4.98 -47.77 3 5 1 76 326.467 7 ↓

Analogs

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Popular Name: 3-[(1S)-1-(ethylamino)ethyl]-N-thiazol-2-yl-benzenesulfonamide 3-[(1S)-1-(ethylamino)ethyl]-N-t…

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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) 2.23 4.02 -69.83 2 5 0 78 311.432 6 ↓
Mid Mid (pH 6-8) 2.23 4.23 -47.86 3 5 1 76 312.44 6 ↓

Analogs

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Popular Name: 3-[(1R)-1-(ethylamino)ethyl]-N-thiazol-2-yl-benzenesulfonamide 3-[(1R)-1-(ethylamino)ethyl]-N-t…

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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) 2.23 4.02 -69.9 2 5 0 78 311.432 6 ↓
Mid Mid (pH 6-8) 2.23 4.23 -47.02 3 5 1 76 312.44 6 ↓

Analogs

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Popular Name: 3-[(1S)-1-(methylamino)ethyl]-N-thiazol-2-yl-benzenesulfonamide 3-[(1S)-1-(methylamino)ethyl]-N-…

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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) 1.85 3.17 -72.12 2 5 0 78 297.405 5 ↓
Mid Mid (pH 6-8) 1.85 3.39 -49.52 3 5 1 76 298.413 5 ↓

Analogs

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Popular Name: 3-[(1R)-1-(methylamino)ethyl]-N-thiazol-2-yl-benzenesulfonamide 3-[(1R)-1-(methylamino)ethyl]-N-…

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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) 1.85 3.17 -72.22 2 5 0 78 297.405 5 ↓
Mid Mid (pH 6-8) 1.85 3.4 -48.49 3 5 1 76 298.413 5 ↓

Analogs

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Popular Name: 4-[(1S)-1-(propylamino)ethyl]-N-thiazol-2-yl-benzenesulfonamide 4-[(1S)-1-(propylamino)ethyl]-N-…

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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) 2.75 4.8 -73.38 2 5 0 78 325.459 7 ↓
Mid Mid (pH 6-8) 2.75 4.99 -50.57 3 5 1 76 326.467 7 ↓

Analogs

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Popular Name: 4-[(1R)-1-(propylamino)ethyl]-N-thiazol-2-yl-benzenesulfonamide 4-[(1R)-1-(propylamino)ethyl]-N-…

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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) 2.75 4.81 -73.45 2 5 0 78 325.459 7 ↓
Mid Mid (pH 6-8) 2.75 5 -50 3 5 1 76 326.467 7 ↓

Analogs

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Popular Name: 4-[(1S)-1-(ethylamino)ethyl]-N-thiazol-2-yl-benzenesulfonamide 4-[(1S)-1-(ethylamino)ethyl]-N-t…

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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) 2.25 4.05 -72.9 2 5 0 78 311.432 6 ↓
Mid Mid (pH 6-8) 2.25 4.23 -49.72 3 5 1 76 312.44 6 ↓

Analogs

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Popular Name: 4-[(1R)-1-(ethylamino)ethyl]-N-thiazol-2-yl-benzenesulfonamide 4-[(1R)-1-(ethylamino)ethyl]-N-t…

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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) 2.25 4.04 -72.94 2 5 0 78 311.432 6 ↓
Mid Mid (pH 6-8) 2.25 4.23 -49.17 3 5 1 76 312.44 6 ↓

Analogs

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Popular Name: 4-[(1S)-1-(methylamino)ethyl]-N-thiazol-2-yl-benzenesulfonamide 4-[(1S)-1-(methylamino)ethyl]-N-…

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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 3.21 -74.63 2 5 0 78 297.405 5 ↓
Mid Mid (pH 6-8) 1.88 3.39 -51.07 3 5 1 76 298.413 5 ↓

Analogs

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Popular Name: 4-[(1R)-1-(methylamino)ethyl]-N-thiazol-2-yl-benzenesulfonamide 4-[(1R)-1-(methylamino)ethyl]-N-…

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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 3.2 -74.72 2 5 0 78 297.405 5 ↓
Mid Mid (pH 6-8) 1.88 3.39 -50.48 3 5 1 76 298.413 5 ↓

Analogs

35633424
35633424

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Popular Name: 3-[(1S)-1-(ethylamino)ethyl]-N-(5-methylthiazol-2-yl)benzenesulfonamide 3-[(1S)-1-(ethylamino)ethyl]-N-(…

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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) 2.45 4.83 -71.22 2 5 0 78 325.459 6 ↓
Mid Mid (pH 6-8) 2.45 5.05 -47.7 3 5 1 76 326.467 6 ↓

Analogs

35633422
35633422

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Popular Name: 3-[(1R)-1-(ethylamino)ethyl]-N-(5-methylthiazol-2-yl)benzenesulfonamide 3-[(1R)-1-(ethylamino)ethyl]-N-(…

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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) 2.45 4.83 -71.3 2 5 0 78 325.459 6 ↓
Mid Mid (pH 6-8) 2.45 5.05 -46.88 3 5 1 76 326.467 6 ↓

Analogs

35633426
35633426

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Popular Name: 3-[(1R)-1-(methylamino)ethyl]-N-(5-methylthiazol-2-yl)benzenesulfonamide 3-[(1R)-1-(methylamino)ethyl]-N-…

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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) 2.07 3.99 -73.52 2 5 0 78 311.432 5 ↓
Mid Mid (pH 6-8) 2.07 4.2 -50.56 3 5 1 76 312.44 5 ↓

Analogs

35633425
35633425

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Popular Name: 3-[(1S)-1-(methylamino)ethyl]-N-(5-methylthiazol-2-yl)benzenesulfonamide 3-[(1S)-1-(methylamino)ethyl]-N-…

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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) 2.07 3.99 -73.67 2 5 0 78 311.432 5 ↓
Mid Mid (pH 6-8) 2.07 4.2 -49.82 3 5 1 76 312.44 5 ↓

Analogs

35633428
35633428

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Popular Name: 4-[(1S)-1-(ethylamino)ethyl]-N-(5-methylthiazol-2-yl)benzenesulfonamide 4-[(1S)-1-(ethylamino)ethyl]-N-(…

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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) 2.47 4.86 -74.31 2 5 0 78 325.459 6 ↓
Mid Mid (pH 6-8) 2.47 5.05 -49.53 3 5 1 76 326.467 6 ↓

Analogs

35633427
35633427

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Popular Name: 4-[(1R)-1-(ethylamino)ethyl]-N-(5-methylthiazol-2-yl)benzenesulfonamide 4-[(1R)-1-(ethylamino)ethyl]-N-(…

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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) 2.47 4.85 -74.4 2 5 0 78 325.459 6 ↓
Mid Mid (pH 6-8) 2.47 5.05 -49.09 3 5 1 76 326.467 6 ↓

Analogs

35633430
35633430

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Popular Name: 4-[(1R)-1-(methylamino)ethyl]-N-(5-methylthiazol-2-yl)benzenesulfonamide 4-[(1R)-1-(methylamino)ethyl]-N-…

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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) 2.10 4 -76.13 2 5 0 78 311.432 5 ↓
Mid Mid (pH 6-8) 2.10 4.21 -50.42 3 5 1 76 312.44 5 ↓

Analogs

35633429
35633429

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Popular Name: 4-[(1S)-1-(methylamino)ethyl]-N-(5-methylthiazol-2-yl)benzenesulfonamide 4-[(1S)-1-(methylamino)ethyl]-N-…

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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) 2.10 4 -76.06 2 5 0 78 311.432 5 ↓
Mid Mid (pH 6-8) 2.10 4.21 -50.88 3 5 1 76 312.44 5 ↓

Analogs

35634165
35634165

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Popular Name: 4-[(1S)-1-hydroxyethyl]-N-thiazol-2-yl-benzenesulfonamide 4-[(1S)-1-hydroxyethyl]-N-thiazo…

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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) 1.32 0.84 -48.66 1 5 -1 81 283.354 4 ↓
Mid Mid (pH 6-8) 2.25 1.4 -15.39 2 5 0 83 284.362 3 ↓

Analogs

35634164
35634164

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Popular Name: 4-[(1R)-1-hydroxyethyl]-N-thiazol-2-yl-benzenesulfonamide 4-[(1R)-1-hydroxyethyl]-N-thiazo…

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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) 1.32 0.8 -48.56 1 5 -1 81 283.354 4 ↓
Mid Mid (pH 6-8) 2.25 1.36 -15.41 2 5 0 83 284.362 3 ↓

Analogs

35634167
35634167

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Popular Name: 3-[(1S)-1-hydroxyethyl]-N-thiazol-2-yl-benzenesulfonamide 3-[(1S)-1-hydroxyethyl]-N-thiazo…

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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) 1.30 0.83 -47.35 1 5 -1 81 283.354 4 ↓
Mid Mid (pH 6-8) 2.23 1.39 -14.69 2 5 0 83 284.362 3 ↓

Analogs

35634166
35634166

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Popular Name: 3-[(1R)-1-hydroxyethyl]-N-thiazol-2-yl-benzenesulfonamide 3-[(1R)-1-hydroxyethyl]-N-thiazo…

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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) 1.30 0.79 -47.48 1 5 -1 81 283.354 4 ↓
Mid Mid (pH 6-8) 2.23 1.35 -14.88 2 5 0 83 284.362 3 ↓

Analogs

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Popular Name: 3-(thiazol-2-ylsulfamoyl)benzenecarbothioamide 3-(thiazol-2-ylsulfamoyl)benzene…

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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) 1.53 1.88 -59.44 2 5 -1 87 298.394 4 ↓
Mid Mid (pH 6-8) 1.53 2.08 -20.37 3 5 0 85 299.402 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R)-1-aminoethyl]-N-thiazol-2-yl-benzenesulfonamide 3-[(1R)-1-aminoethyl]-N-thiazol-…

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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) -0.40 1.41 -78.28 3 5 0 89 283.378 4 ↓
Mid Mid (pH 6-8) -0.40 1.61 -54.04 4 5 1 87 284.386 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S)-1-aminoethyl]-N-thiazol-2-yl-benzenesulfonamide 3-[(1S)-1-aminoethyl]-N-thiazol-…

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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) -0.40 1.4 -78.18 3 5 0 89 283.378 4 ↓
Mid Mid (pH 6-8) -0.40 1.61 -55.13 4 5 1 87 284.386 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-5-(thiazol-2-ylsulfamoyl)benzoic 2-methyl-5-(thiazol-2-ylsulfamoy…

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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) 1.71 3.86 -108.5 0 6 -2 101 296.329 4 ↓

Analogs

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Popular Name: 2-chloro-5-(thiazol-2-ylsulfamoyl)benzoic 2-chloro-5-(thiazol-2-ylsulfamoy…

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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) 1.94 3.6 -102.09 0 6 -2 101 316.747 4 ↓
Mid Mid (pH 6-8) 1.94 3.8 -56.58 1 6 -1 99 317.755 4 ↓

Parameters Provided:

ring.id = 6019
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 = 6019 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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