In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 24th, 2010 | 32 | 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) | 4.47 | 8.16 | -57.58 | 1 | 6 | -1 | 88 | 448.882 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.47 | 7.4 | -15.17 | 2 | 6 | 0 | 85 | 449.89 | 7 | ↓ |