In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 36 | 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) | 3.69 | 12.59 | -72.96 | 1 | 8 | 0 | 91 | 490.604 | 11 | ↓ |
Lo Low (pH 4.5-6) | 3.69 | 11.77 | -48.85 | 2 | 8 | 1 | 89 | 491.612 | 11 | ↓ |