In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 29 | No |
Popular Name: (5R)-1-(2-diethylaminoethyl)-3-hydroxy-4-(4-methylbenzoyl)-5-(2-pyridyl)-5H-pyrrol-2-one (5R)-1-(2-diethylaminoethyl)-3-h…
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) | 2.44 | 9.87 | -71.5 | 1 | 6 | 0 | 78 | 393.487 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.44 | 7.55 | -62.61 | 0 | 6 | -1 | 77 | 392.479 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.44 | 9.05 | -49 | 2 | 6 | 1 | 75 | 394.495 | 8 | ↓ |