In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 33 | No |
Popular Name: (2S)-3-(4-bromobenzoyl)-1-butyl-2-(3-ethoxy-4-propoxy-phenyl)-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) | 5.53 | 12.05 | -55.59 | 0 | 6 | -1 | 79 | 515.424 | 11 | ↓ |
Lo Low (pH 4.5-6) | 5.53 | 11.29 | -13.71 | 1 | 6 | 0 | 76 | 516.432 | 11 | ↓ |