In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 32 | No |
Popular Name: (5S)-4-benzoyl-1-(2-diethylaminoethyl)-3-hydroxy-5-(4-propoxyphenyl)-5H-pyrrol-2-one (5S)-4-benzoyl-1-(2-diethylamino…
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) | 4.10 | 11.93 | -67.42 | 1 | 6 | 0 | 74 | 436.552 | 11 | ↓ |
Hi High (pH 8-9.5) | 4.10 | 9.71 | -59.65 | 0 | 6 | -1 | 73 | 435.544 | 11 | ↓ |
Lo Low (pH 4.5-6) | 4.10 | 11.1 | -47.03 | 2 | 6 | 1 | 71 | 437.56 | 11 | ↓ |