In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 32 | No |
Popular Name: (5R)-5-(4-allyloxyphenyl)-4-benzoyl-1-(2-diethylaminoethyl)-3-hydroxy-5H-pyrrol-2-one (5R)-5-(4-allyloxyphenyl)-4-benz…
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) | 3.86 | 11.91 | -70.87 | 1 | 6 | 0 | 74 | 434.536 | 11 | ↓ |
Hi High (pH 8-9.5) | 3.86 | 9.62 | -58.73 | 0 | 6 | -1 | 73 | 433.528 | 11 | ↓ |
Lo Low (pH 4.5-6) | 3.86 | 11.08 | -51.51 | 2 | 6 | 1 | 71 | 435.544 | 11 | ↓ |