In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 31 | No |
Popular Name: (2S)-3-(4-allyloxy-2-methyl-benzoyl)-2-(2-bromophenyl)-1-butyl-4-hydroxy-2H-pyrrol-5-one (2S)-3-(4-allyloxy-2-methyl-benz…
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) | 5.65 | 12.15 | -52.25 | 0 | 5 | -1 | 70 | 483.382 | 9 | ↓ |
Lo Low (pH 4.5-6) | 5.65 | 11.4 | -9.38 | 1 | 5 | 0 | 67 | 484.39 | 9 | ↓ |