In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 18 | Yes |
Popular Name: 2-[(3S)-3-hydroxy-1-piperidyl]-4,6-dimethyl-pyridine-3-carboxamidine 2-[(3S)-3-hydroxy-1-piperidyl]-4…
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) | 0.05 | 1.36 | -33.81 | 5 | 5 | 1 | 88 | 249.338 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.05 | 1.4 | -6.78 | 4 | 5 | 0 | 86 | 248.33 | 2 | ↓ |
Lo Low (pH 4.5-6) | 0.05 | 1.78 | -86.85 | 6 | 5 | 2 | 89 | 250.346 | 2 | ↓ |