In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2008 | 30 | No |
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) | 0.61 | 1.88 | -76.56 | 2 | 9 | -1 | 133 | 416.406 | 10 | ↓ |
Lo Low (pH 4.5-6) | 0.61 | 0.92 | -27.22 | 3 | 9 | 0 | 130 | 417.414 | 10 | ↓ |