In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 22nd, 2011 | 24 | No |
Popular Name: p-tolyl-[1-(2-thioxo-1H-pyridine-3-carbonyl)-4-piperidyl]methanone p-tolyl-[1-(2-thioxo-1H-pyridine…
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) | 2.72 | 9.16 | -71.59 | 0 | 4 | -1 | 50 | 339.44 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.99 | 9.59 | -42.95 | 1 | 4 | 0 | 53 | 340.448 | 3 | ↓ |