In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 27th, 2010 | 30 | Yes |
Popular Name: N-[2-(o-tolyl)ethyl]-6-[4-(4-pyridyl)piperazin-1-yl]pyridine-3-carboxamide N-[2-(o-tolyl)ethyl]-6-[4-(4-pyr…
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) | 2.84 | 10.5 | -42.75 | 2 | 6 | 1 | 63 | 402.522 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.84 | 10.81 | -87.9 | 3 | 6 | 2 | 64 | 403.53 | 6 | ↓ |