In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2008 | 30 | No |
Popular Name: (5R)-1-(2-diethylaminoethyl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-pyridyl)-5H-pyrrol-2-one (5R)-1-(2-diethylaminoethyl)-4-(…
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) | 2.70 | 11.14 | -73.47 | 1 | 6 | 0 | 78 | 407.514 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.70 | 8.85 | -57.73 | 0 | 6 | -1 | 77 | 406.506 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.70 | 10.18 | -51.51 | 2 | 6 | 1 | 75 | 408.522 | 8 | ↓ |