In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2010 | 27 | No |
Popular Name: (2S)-3-(4-bromobenzoyl)-2-(3-chlorophenyl)-4-hydroxy-1-(3-hydroxypropyl)-2H-pyrrol-5-one (2S)-3-(4-bromobenzoyl)-2-(3-chl…
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) | 3.48 | 7.04 | -57.49 | 1 | 5 | -1 | 81 | 449.708 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.48 | 6.27 | -14.07 | 2 | 5 | 0 | 78 | 450.716 | 6 | ↓ |