In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 27th, 2010 | 39 | Yes |
Popular Name: 3-[[4-(4-phenoxyanilino)pyrimidin-2-yl]amino]-N-[3-(1-piperidyl)propyl]benzamide 3-[[4-(4-phenoxyanilino)pyrimidi…
None
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) | 6.57 | 16.99 | -50.43 | 4 | 8 | 1 | 93 | 523.661 | 11 | ↓ |
Lo Low (pH 4.5-6) | 6.57 | 17.35 | -83.64 | 5 | 8 | 2 | 94 | 524.669 | 11 | ↓ |