In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 4th, 2008 | 27 | No |
Popular Name: (5S)-4-benzoyl-1-(2-dimethylaminoethyl)-5-(4-fluorophenyl)-3-hydroxy-5H-pyrrol-2-one (5S)-4-benzoyl-1-(2-dimethylamin…
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) | 2.57 | 9.52 | -70.87 | 1 | 5 | 0 | 65 | 368.408 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.57 | 6.99 | -57.04 | 0 | 5 | -1 | 64 | 367.4 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.57 | 8.69 | -50.89 | 2 | 5 | 1 | 62 | 369.416 | 6 | ↓ |