In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 25 | Yes |
Popular Name: [(3S,5R)-3,5-dimethyl-1-piperidyl]-[(2S)-1-quinazolin-4-ylpyrrolidin-2-yl]methanone [(3S,5R)-3,5-dimethyl-1-piperidy…
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) | 3.13 | 11.3 | -17.61 | 0 | 5 | 0 | 49 | 338.455 | 2 | ↓ |
Lo Low (pH 4.5-6) | 3.13 | 11.77 | -32.97 | 1 | 5 | 1 | 51 | 339.463 | 2 | ↓ |