In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 12 | 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) | 3.39 | 6.85 | -2.35 | 0 | 1 | 0 | 3 | 183.682 | 2 | ↓ |
Lo Low (pH 4.5-6) | 3.39 | 7.27 | -16.95 | 1 | 1 | 0 | 4 | 184.69 | 2 | ↓ |