In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 18th, 2008 | 22 | Yes |
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) | 3.67 | 7.72 | -11.4 | 1 | 3 | 0 | 42 | 318.71 | 2 | ↓ |
Lo Low (pH 4.5-6) | 3.67 | 8.13 | -50.31 | 2 | 3 | 1 | 43 | 319.718 | 2 | ↓ |