In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2008 | 32 | Yes |
Popular Name: [4-(m-tolylmethyl)piperazin-1-yl]-[2-(4-pyridyl)-4-quinolyl]methanone [4-(m-tolylmethyl)piperazin-1-yl…
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) | 3.46 | 10.56 | -11.53 | 0 | 5 | 0 | 49 | 422.532 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.46 | 13.05 | -99.54 | 2 | 5 | 2 | 52 | 424.548 | 4 | ↓ |