In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2008 | 16 | 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) | 1.82 | 2.5 | -42.89 | 3 | 3 | 1 | 40 | 229.388 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.82 | 4.37 | -115.65 | 4 | 3 | 2 | 41 | 230.396 | 6 | ↓ |