In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 12th, 2008 | 28 | No |
Popular Name: (5S)-4-benzoyl-5-(3,4-dichlorophenyl)-1-(2-dimethylaminoethyl)-3-hydroxy-5H-pyrrol-2-one (5S)-4-benzoyl-5-(3,4-dichloroph…
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) | 3.69 | 10.4 | -68.75 | 1 | 5 | 0 | 65 | 419.308 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.69 | 7.87 | -53.47 | 0 | 5 | -1 | 64 | 418.3 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.69 | 9.58 | -51.31 | 2 | 5 | 1 | 62 | 420.316 | 6 | ↓ |