In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 18 | 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) | 3.25 | 8.67 | -46.43 | 0 | 3 | -1 | 57 | 247.314 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.25 | 6.69 | -6.17 | 1 | 3 | 0 | 54 | 248.322 | 6 | ↓ |