In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2009 | 29 | Yes |
Popular Name: 5-[(4-ethoxyphenyl)methyl]-6-methyl-2-(8-quinolylamino)pyrimidin-4-ol 5-[(4-ethoxyphenyl)methyl]-6-met…
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) | 4.49 | 11.34 | -14.63 | 2 | 6 | 0 | 80 | 386.455 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.95 | 9.89 | -56.37 | 1 | 6 | -1 | 83 | 385.447 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.49 | 11.85 | -45.4 | 3 | 6 | 1 | 81 | 387.463 | 6 | ↓ |