In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 35 | 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) | 4.03 | 11.87 | -71.19 | 1 | 9 | 0 | 120 | 501.967 | 11 | ↓ |
Lo Low (pH 4.5-6) | 4.03 | 11.05 | -57.44 | 2 | 9 | 1 | 117 | 502.975 | 11 | ↓ |