In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2010 | 30 | Yes |
Popular Name: [3-[[6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone [3-[[6-(3-methylanilino)pyrimidi…
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) | 3.72 | 13.26 | -49.92 | 3 | 7 | 1 | 75 | 403.51 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.72 | 10.9 | -11.98 | 2 | 7 | 0 | 73 | 402.502 | 5 | ↓ |