In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 30 | Yes |
Popular Name: 1-(4-anilinopyrimidin-2-yl)-N-(2-morpholinoethyl)piperidine-4-carboxamide 1-(4-anilinopyrimidin-2-yl)-N-(2…
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 | 8.55 | -15.09 | 2 | 8 | 0 | 83 | 410.522 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.84 | 10.82 | -50.42 | 3 | 8 | 1 | 84 | 411.53 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.84 | 11.23 | -85.19 | 4 | 8 | 2 | 85 | 412.538 | 7 | ↓ |