In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 21st, 2010 | 33 | 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) | 5.49 | 13.27 | -71.5 | 1 | 6 | 0 | 78 | 473.013 | 13 | ↓ |
Lo Low (pH 4.5-6) | 5.49 | 12.52 | -46.43 | 2 | 6 | 1 | 75 | 474.021 | 13 | ↓ |