In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 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) | 8.28 | 15.58 | -11.45 | 0 | 5 | 0 | 56 | 493.632 | 4 | ↓ |
Lo Low (pH 4.5-6) | 8.28 | 16.56 | -24.37 | 1 | 5 | 1 | 58 | 494.64 | 4 | ↓ |