In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2008 | 29 | No |
Popular Name: (5R)-1-(3-diethylaminopropyl)-3-hydroxy-4-(4-methylbenzoyl)-5-(2-thienyl)-5H-pyrrol-2-one (5R)-1-(3-diethylaminopropyl)-3-…
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) | 3.78 | 11.27 | -77.22 | 1 | 5 | 0 | 65 | 412.555 | 9 | ↓ |
Lo Low (pH 4.5-6) | 3.78 | 10.45 | -52.15 | 2 | 5 | 1 | 62 | 413.563 | 9 | ↓ |