In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 29 | No |
Popular Name: (5R)-1-(2-diethylaminoethyl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(2-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) | 2.15 | 9.27 | -67.97 | 1 | 6 | 0 | 78 | 397.45 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.15 | 6.95 | -57.88 | 0 | 6 | -1 | 77 | 396.442 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.15 | 8.45 | -49.43 | 2 | 6 | 1 | 75 | 398.458 | 8 | ↓ |