In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 17 | Yes |
Popular Name: 2-[(3S)-3-hydroxy-1-piperidyl]-6-methyl-pyridine-3-carboxamidine 2-[(3S)-3-hydroxy-1-piperidyl]-6…
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) | -0.71 | 1.3 | -34.78 | 5 | 5 | 1 | 88 | 235.311 | 2 | ↓ |
Mid Mid (pH 6-8) | -0.71 | 2.3 | -8.35 | 4 | 5 | 0 | 86 | 234.303 | 2 | ↓ |
Lo Low (pH 4.5-6) | -0.71 | 1.72 | -89.66 | 6 | 5 | 2 | 89 | 236.319 | 2 | ↓ |