In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 13th, 2010 | 15 | Yes |
Popular Name: N-methyl-1-[(3S)-1-pyrimidin-4-yl-3-piperidyl]methanamine N-methyl-1-[(3S)-1-pyrimidin-4-y…
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) | 0.80 | 6.02 | -39.96 | 2 | 4 | 1 | 46 | 207.301 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.80 | 6.52 | -83.16 | 3 | 4 | 2 | 47 | 208.309 | 3 | ↓ |