In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 15th, 2008 | 31 | Yes |
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) | 2.52 | -1.02 | -17.05 | 1 | 8 | 0 | 91 | 441.557 | 10 | ↓ |
Lo Low (pH 4.5-6) | 2.52 | 8.59 | -48.75 | 2 | 8 | 1 | 92 | 442.565 | 10 | ↓ |