UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[(2-ethylthiazol-4-yl)methylsulfonyl]benzoic 3-[(2-ethylthiazol-4-yl)methylsu…

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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) 1.75 4.99 -60.82 0 5 -1 87 310.376 5 ↓

Analogs

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Popular Name: 4-[(2-ethylthiazol-4-yl)methylsulfonyl]benzoic 4-[(2-ethylthiazol-4-yl)methylsu…

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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) 1.77 5 -53.84 0 5 -1 87 310.376 5 ↓

Analogs

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Popular Name: 2-bromo-5-[(2-ethylthiazol-4-yl)methylsulfonyl]benzoic 2-bromo-5-[(2-ethylthiazol-4-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) 2.17 5.48 -57.82 0 5 -1 87 389.272 5 ↓

Analogs

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Popular Name: 5-[(2-ethylthiazol-4-yl)methylsulfonyl]-2-methyl-benzoic 5-[(2-ethylthiazol-4-yl)methylsu…

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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) 1.81 5.63 -62.1 0 5 -1 87 324.403 5 ↓

Analogs

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Popular Name: 3-[(2-ethylthiazol-4-yl)methylsulfonyl]-4-methyl-benzoic 3-[(2-ethylthiazol-4-yl)methylsu…

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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) 2.59 5.62 -65 0 5 -1 87 324.403 5 ↓

Analogs

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Popular Name: 5-[(2-ethylthiazol-4-yl)methylsulfonyl]-2-fluoro-benzoic 5-[(2-ethylthiazol-4-yl)methylsu…

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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) 1.52 5.03 -62.16 0 5 -1 87 328.366 5 ↓

Analogs

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Popular Name: 3-[(2-ethylthiazol-4-yl)methylsulfonyl]-4-fluoro-benzoic 3-[(2-ethylthiazol-4-yl)methylsu…

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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) 2.30 5.03 -55.15 0 5 -1 87 328.366 5 ↓

Analogs

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Popular Name: 4-chloro-3-[(2-ethylthiazol-4-yl)methylsulfonyl]benzoic 4-chloro-3-[(2-ethylthiazol-4-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) 2.82 5.41 -54.88 0 5 -1 87 344.821 5 ↓

Analogs

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Popular Name: 2-chloro-5-[(2-ethylthiazol-4-yl)methylsulfonyl]benzoic 2-chloro-5-[(2-ethylthiazol-4-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) 2.04 5.39 -58.66 0 5 -1 87 344.821 5 ↓

Analogs

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Popular Name: 4-bromo-3-[(2-ethylthiazol-4-yl)methylsulfonyl]benzoic 4-bromo-3-[(2-ethylthiazol-4-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) 2.95 5.52 -54.53 0 5 -1 87 389.272 5 ↓

Analogs

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Popular Name: 2-[4-[(2-ethylthiazol-4-yl)methylsulfonyl]phenyl]acetic 2-[4-[(2-ethylthiazol-4-yl)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) 1.28 5.78 -51.35 0 5 -1 87 324.403 6 ↓

Analogs

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Popular Name: 3-[(2-propylthiazol-4-yl)methylsulfonyl]benzoic 3-[(2-propylthiazol-4-yl)methyls…

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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 5.76 -60.65 0 5 -1 87 324.403 6 ↓

Analogs

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Popular Name: 4-[(2-propylthiazol-4-yl)methylsulfonyl]benzoic 4-[(2-propylthiazol-4-yl)methyls…

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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) 2.27 5.77 -53.59 0 5 -1 87 324.403 6 ↓

Analogs

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Popular Name: 3-[(2-isopropylthiazol-4-yl)methylsulfonyl]benzoic 3-[(2-isopropylthiazol-4-yl)meth…

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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 5.61 -60.92 0 5 -1 87 324.403 5 ↓

Analogs

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Popular Name: 4-[(2-isopropylthiazol-4-yl)methylsulfonyl]benzoic 4-[(2-isopropylthiazol-4-yl)meth…

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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 5.62 -53.79 0 5 -1 87 324.403 5 ↓

Analogs

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Popular Name: 4-ethyl-3-(thiazol-4-ylmethylsulfonyl)benzoic 4-ethyl-3-(thiazol-4-ylmethylsul…

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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) 2.76 4.7 -63.56 0 5 -1 87 310.376 5 ↓

Analogs

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Popular Name: 4-ethyl-3-[(2-methylthiazol-4-yl)methylsulfonyl]benzoic 4-ethyl-3-[(2-methylthiazol-4-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) 2.48 5.44 -63.62 0 5 -1 87 324.403 5 ↓

Analogs

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Popular Name: 2,4-dimethyl-5-(thiazol-4-ylmethylsulfonyl)benzoic 2,4-dimethyl-5-(thiazol-4-ylmeth…

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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) 2.34 4.75 -60.85 0 5 -1 87 310.376 4 ↓

Analogs

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Popular Name: 2,4-dimethyl-5-[(2-methylthiazol-4-yl)methylsulfonyl]benzoic 2,4-dimethyl-5-[(2-methylthiazol…

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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) 2.05 5.49 -60.82 0 5 -1 87 324.403 4 ↓

Analogs

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Popular Name: 3-(thiazol-4-ylmethylsulfonyl)benzoic 3-(thiazol-4-ylmethylsulfonyl)be…

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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) 1.46 3.5 -60.7 0 5 -1 87 282.322 4 ↓

Analogs

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Popular Name: 3-[(2-methylthiazol-4-yl)methylsulfonyl]benzoic 3-[(2-methylthiazol-4-yl)methyls…

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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) 1.17 4.24 -60.86 0 5 -1 87 296.349 4 ↓

Analogs

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Popular Name: 4-(thiazol-4-ylmethylsulfonyl)benzoic 4-(thiazol-4-ylmethylsulfonyl)be…

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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) 1.48 3.51 -53.99 0 5 -1 87 282.322 4 ↓

Analogs

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Popular Name: 4-[(2-methylthiazol-4-yl)methylsulfonyl]benzoic 4-[(2-methylthiazol-4-yl)methyls…

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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 4.25 -54.04 0 5 -1 87 296.349 4 ↓

Analogs

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Popular Name: 2-methoxy-5-[(2-methylthiazol-4-yl)methylsulfonyl]benzoic 2-methoxy-5-[(2-methylthiazol-4-…

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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) 1.26 4.31 -66.56 0 6 -1 96 326.375 5 ↓

Analogs

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Popular Name: 5-bromo-2-fluoro-3-(thiazol-4-ylmethylsulfonyl)benzoic 5-bromo-2-fluoro-3-(thiazol-4-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) 2.41 4.11 -49.28 0 5 -1 87 379.208 4 ↓

Analogs

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Popular Name: 2-bromo-5-(thiazol-4-ylmethylsulfonyl)benzoic 2-bromo-5-(thiazol-4-ylmethylsul…

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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 3.99 -52.79 0 5 -1 87 361.218 4 ↓

Analogs

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Popular Name: 2-bromo-5-[(2-methylthiazol-4-yl)methylsulfonyl]benzoic 2-bromo-5-[(2-methylthiazol-4-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) 1.60 4.73 -57.84 0 5 -1 87 375.245 4 ↓

Analogs

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Popular Name: 5-chloro-2-fluoro-3-(thiazol-4-ylmethylsulfonyl)benzoic 5-chloro-2-fluoro-3-(thiazol-4-y…

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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) 2.28 4 -49.26 0 5 -1 87 334.757 4 ↓

Analogs

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Popular Name: 5-chloro-2-fluoro-3-[(2-methylthiazol-4-yl)methylsulfonyl]benzoic 5-chloro-2-fluoro-3-[(2-methylth…

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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 4.74 -49.28 0 5 -1 87 348.784 4 ↓

Analogs

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Popular Name: 4-methoxy-3-(thiazol-4-ylmethylsulfonyl)benzoic 4-methoxy-3-(thiazol-4-ylmethyls…

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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) 1.91 3.31 -62.31 0 6 -1 96 312.348 5 ↓

Analogs

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Popular Name: 4-methoxy-3-[(2-methylthiazol-4-yl)methylsulfonyl]benzoic 4-methoxy-3-[(2-methylthiazol-4-…

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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) 1.62 4.05 -62.37 0 6 -1 96 326.375 5 ↓

Analogs

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Popular Name: 3,4-dimethyl-5-(thiazol-4-ylmethylsulfonyl)benzoic 3,4-dimethyl-5-(thiazol-4-ylmeth…

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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) 2.68 4.64 -60.6 0 5 -1 87 310.376 4 ↓

Analogs

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Popular Name: 2-methyl-5-(thiazol-4-ylmethylsulfonyl)benzoic 2-methyl-5-(thiazol-4-ylmethylsu…

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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) 1.52 4.15 -57.16 0 5 -1 87 296.349 4 ↓

Analogs

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Popular Name: 2-methyl-5-[(2-methylthiazol-4-yl)methylsulfonyl]benzoic 2-methyl-5-[(2-methylthiazol-4-y…

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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) 1.24 4.89 -57.24 0 5 -1 87 310.376 4 ↓

Analogs

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Popular Name: 2,6-dichloro-3-(thiazol-4-ylmethylsulfonyl)benzoic 2,6-dichloro-3-(thiazol-4-ylmeth…

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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) 2.80 4.18 -48.93 0 5 -1 87 351.212 4 ↓

Analogs

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Popular Name: 2,6-dichloro-3-[(2-methylthiazol-4-yl)methylsulfonyl]benzoic 2,6-dichloro-3-[(2-methylthiazol…

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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) 2.51 4.92 -49 0 5 -1 87 365.239 4 ↓

Analogs

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Popular Name: 2,4-dichloro-5-[(2-methylthiazol-4-yl)methylsulfonyl]benzoic 2,4-dichloro-5-[(2-methylthiazol…

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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) 2.51 5.04 -52.38 0 5 -1 87 365.239 4 ↓

Analogs

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Popular Name: 3-[4-[(2-methylthiazol-4-yl)methylsulfonyl]phenyl]propanoic 3-[4-[(2-methylthiazol-4-yl)meth…

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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) 1.23 5.83 -52.91 0 5 -1 87 324.403 6 ↓

Analogs

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Popular Name: 2-fluoro-5-(thiazol-4-ylmethylsulfonyl)benzoic 2-fluoro-5-(thiazol-4-ylmethylsu…

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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) 1.24 3.53 -56.99 0 5 -1 87 300.312 4 ↓

Analogs

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Popular Name: 2-fluoro-5-[(2-methylthiazol-4-yl)methylsulfonyl]benzoic 2-fluoro-5-[(2-methylthiazol-4-y…

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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) 0.95 4.27 -62.22 0 5 -1 87 314.339 4 ↓

Analogs

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Popular Name: 2,6-difluoro-3-(thiazol-4-ylmethylsulfonyl)benzoic 2,6-difluoro-3-(thiazol-4-ylmeth…

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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) 1.77 3.52 -55.95 0 5 -1 87 318.302 4 ↓

Analogs

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Popular Name: 4-chloro-3-(thiazol-4-ylmethylsulfonyl)benzoic 4-chloro-3-(thiazol-4-ylmethylsu…

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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) 2.53 3.91 -54.91 0 5 -1 87 316.767 4 ↓

Analogs

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Popular Name: 4-chloro-3-[(2-methylthiazol-4-yl)methylsulfonyl]benzoic 4-chloro-3-[(2-methylthiazol-4-y…

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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) 2.24 4.65 -54.98 0 5 -1 87 330.794 4 ↓

Analogs

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Popular Name: 2-chloro-5-(thiazol-4-ylmethylsulfonyl)benzoic 2-chloro-5-(thiazol-4-ylmethylsu…

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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) 1.75 3.89 -53.68 0 5 -1 87 316.767 4 ↓

Analogs

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Popular Name: 2-chloro-5-[(2-methylthiazol-4-yl)methylsulfonyl]benzoic 2-chloro-5-[(2-methylthiazol-4-y…

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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) 1.46 4.63 -58.7 0 5 -1 87 330.794 4 ↓

Analogs

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Popular Name: 4-bromo-3-(thiazol-4-ylmethylsulfonyl)benzoic 4-bromo-3-(thiazol-4-ylmethylsul…

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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) 2.66 4.02 -54.64 0 5 -1 87 361.218 4 ↓

Analogs

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Popular Name: 4-bromo-3-[(2-methylthiazol-4-yl)methylsulfonyl]benzoic 4-bromo-3-[(2-methylthiazol-4-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) 2.37 4.76 -54.73 0 5 -1 87 375.245 4 ↓

Analogs

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Popular Name: 2-isopropyl-4-[(2-methoxyphenyl)sulfonylmethyl]thiazole 2-isopropyl-4-[(2-methoxyphenyl)…

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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) 2.79 4.86 -15.4 0 4 0 56 311.428 5 ↓

Analogs

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Popular Name: 2-ethyl-4-[(2-methoxyphenyl)sulfonylmethyl]thiazole 2-ethyl-4-[(2-methoxyphenyl)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) 2.31 4.24 -15.41 0 4 0 56 297.401 5 ↓

Analogs

40165571
40165571

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Popular Name: 2-isopropyl-4-(m-tolylsulfonylmethyl)thiazole 2-isopropyl-4-(m-tolylsulfonylme…

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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) 2.77 5.72 -13.59 0 3 0 47 295.429 4 ↓

Parameters Provided:

ring.id = 414467
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 = 414467 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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