In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2010 | 18 | Yes |
Popular Name: 6-[methyl-[(1R)-1-(4-pyridyl)ethyl]amino]pyridine-3-carbonitrile 6-[methyl-[(1R)-1-(4-pyridyl)eth…
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) | 1.57 | 7.13 | -9.33 | 0 | 4 | 0 | 53 | 238.294 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.57 | 7.59 | -42.54 | 1 | 4 | 1 | 54 | 239.302 | 3 | ↓ |