In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 29 | Yes |
Popular Name: 1-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]quinazoline-2,4-dione 1-[2-[4-(4-fluorobenzoyl)-1-pipe…
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) | 2.81 | 10.13 | -59.57 | 2 | 6 | 1 | 76 | 396.442 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.27 | 7.61 | -69.89 | 1 | 6 | 0 | 79 | 395.434 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.81 | 7.89 | -13.21 | 1 | 6 | 0 | 75 | 395.434 | 5 | ↓ |