In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2009 | 32 | Yes |
Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[6-(cyclohexylamino)pyrimidin-4-yl]benzamide N-(1,3-benzodioxol-5-ylmethyl)-3…
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) | 4.25 | 10.04 | -16.1 | 2 | 7 | 0 | 85 | 430.508 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.25 | 10.42 | -36.22 | 3 | 7 | 1 | 87 | 431.516 | 6 | ↓ |