In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 29 | No |
Popular Name: (2S)-3-(4-bromobenzoyl)-1-butyl-2-(4-dimethylaminophenyl)-4-hydroxy-2H-pyrrol-5-one (2S)-3-(4-bromobenzoyl)-1-butyl-…
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) | 4.73 | 10.64 | -57.98 | 0 | 5 | -1 | 64 | 456.36 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.73 | 9.85 | -12.18 | 1 | 5 | 0 | 61 | 457.368 | 7 | ↓ |