In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 2008 | 25 | Yes |
Popular Name: 4-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-(2-fluorophenyl)quinazoline 4-[(3S,5R)-3,5-dimethyl-1-piperi…
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) | 5.62 | 13.11 | -11.07 | 0 | 3 | 0 | 29 | 335.426 | 2 | ↓ |
Mid Mid (pH 6-8) | 5.62 | 12.3 | -19.6 | 1 | 3 | 1 | 30 | 336.434 | 2 | ↓ |
Lo Low (pH 4.5-6) | 5.62 | 13.46 | -25.12 | 1 | 3 | 1 | 30 | 336.434 | 2 | ↓ |