In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2008 | 30 | No |
Popular Name: (5R)-4-(4-bromobenzoyl)-1-(2-diethylaminoethyl)-5-(2-fluorophenyl)-3-hydroxy-5H-pyrrol-2-one (5R)-4-(4-bromobenzoyl)-1-(2-die…
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) | 4.08 | 12.03 | -64.87 | 1 | 5 | 0 | 65 | 475.358 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.08 | 9.8 | -52.56 | 0 | 5 | -1 | 64 | 474.35 | 8 | ↓ |
Lo Low (pH 4.5-6) | 4.08 | 11.2 | -48.38 | 2 | 5 | 1 | 62 | 476.366 | 8 | ↓ |