In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 33 | Yes |
Popular Name: 3-[[2-(3-methylanilino)pyrimidin-4-yl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide 3-[[2-(3-methylanilino)pyrimidin…
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) | 4.06 | 12.68 | -19.3 | 3 | 8 | 0 | 99 | 444.539 | 9 | ↓ |
Lo Low (pH 4.5-6) | 4.06 | 12.29 | -47.84 | 4 | 8 | 1 | 100 | 445.547 | 9 | ↓ |