In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 30 | No |
Popular Name: (5S)-5-(3-bromophenyl)-1-(2-diethylaminoethyl)-3-hydroxy-4-(4-methylbenzoyl)-5H-pyrrol-2-one (5S)-5-(3-bromophenyl)-1-(2-diet…
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) | 4.39 | 12.39 | -67.75 | 1 | 5 | 0 | 65 | 471.395 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.39 | 10.08 | -55.34 | 0 | 5 | -1 | 64 | 470.387 | 8 | ↓ |
Lo Low (pH 4.5-6) | 4.39 | 11.56 | -50.01 | 2 | 5 | 1 | 62 | 472.403 | 8 | ↓ |