In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 4th, 2008 | 27 | No |
Popular Name: (5R)-1-(2-dimethylaminoethyl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-pyridyl)-5H-pyrrol-2-one (5R)-1-(2-dimethylaminoethyl)-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) | 1.28 | 8.26 | -72 | 1 | 6 | 0 | 78 | 369.396 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.28 | 5.73 | -52.42 | 0 | 6 | -1 | 77 | 368.388 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.28 | 7.44 | -56.47 | 2 | 6 | 1 | 75 | 370.404 | 6 | ↓ |