In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2008 | 30 | Yes |
Popular Name: 4-chloro-N-[4-[[2-methyl-6-(1-piperidyl)pyrimidin-4-yl]amino]phenyl]benzamide 4-chloro-N-[4-[[2-methyl-6-(1-pi…
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) | 5.14 | 11.67 | -33.46 | 3 | 6 | 1 | 71 | 422.94 | 5 | ↓ |
Mid Mid (pH 6-8) | 5.14 | 11.85 | -37.2 | 3 | 6 | 1 | 71 | 422.94 | 5 | ↓ |
Mid Mid (pH 6-8) | 5.14 | 11.57 | -15.86 | 2 | 6 | 0 | 70 | 421.932 | 5 | ↓ |