In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 21st, 2010 | 37 | 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) | 6.41 | 15.38 | -72.76 | 1 | 6 | 0 | 74 | 506.687 | 15 | ↓ |
Lo Low (pH 4.5-6) | 6.41 | 14.69 | -46.29 | 2 | 6 | 1 | 71 | 507.695 | 15 | ↓ |