In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 21st, 2010 | 26 | No |
Popular Name: (2S)-1-allyl-3-(4-bromobenzoyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one (2S)-1-allyl-3-(4-bromobenzoyl)-…
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 | 6.5 | -53.96 | 1 | 5 | -1 | 81 | 413.247 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.33 | 5.75 | -11.62 | 2 | 5 | 0 | 78 | 414.255 | 5 | ↓ |