In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 31 | Yes |
Popular Name: 1-(4-anilinopyrimidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide 1-(4-anilinopyrimidin-2-yl)-N-[3…
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) | 2.99 | 11.98 | -20.16 | 2 | 8 | 0 | 90 | 422.533 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.99 | 12.27 | -44.69 | 3 | 8 | 1 | 92 | 423.541 | 8 | ↓ |