In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2008 | 30 | Yes |
Popular Name: 4-methoxy-N-[4-[(2-methyl-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]phenyl]benzamide 4-methoxy-N-[4-[(2-methyl-6-pyrr…
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) | 4.01 | 9.05 | -40.56 | 3 | 7 | 1 | 81 | 404.494 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.01 | 8.81 | -35.61 | 3 | 7 | 1 | 81 | 404.494 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.01 | 8.62 | -16.24 | 2 | 7 | 0 | 79 | 403.486 | 6 | ↓ |