In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 16th, 2010 | 16 | Yes |
Popular Name: [(3S)-1-(6-ethylpyrimidin-4-yl)-3-piperidyl]methanamine [(3S)-1-(6-ethylpyrimidin-4-yl)-…
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) | 0.83 | 5.58 | -52.01 | 3 | 4 | 1 | 57 | 221.328 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.83 | 5.95 | -88.84 | 4 | 4 | 2 | 58 | 222.336 | 3 | ↓ |