In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 2011 | 21 | Yes |
Popular Name: (2S)-1-[4-[[methyl-[2-(4-pyridyl)ethyl]amino]methyl]-1-piperidyl]propan-2-ol (2S)-1-[4-[[methyl-[2-(4-pyridyl…
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) | 1.39 | 7.49 | -104.97 | 3 | 4 | 2 | 42 | 293.455 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.39 | 5.18 | -45.43 | 2 | 4 | 1 | 41 | 292.447 | 7 | ↓ |