In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2010 | 29 | Yes |
Popular Name: 5-[4-[2-(4-butylphenyl)acetyl]piperazin-1-yl]sulfonyl-4-methyl-3H-thiazol-2-one 5-[4-[2-(4-butylphenyl)acetyl]pi…
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) | 3.02 | 6.79 | -16.86 | 1 | 7 | 0 | 91 | 437.587 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.48 | 4.55 | -47.01 | 0 | 7 | -1 | 94 | 436.579 | 7 | ↓ |