In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 14 | 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) | 0.96 | 5.61 | -45.61 | 0 | 3 | -1 | 57 | 193.222 | 1 | ↓ |
Lo Low (pH 4.5-6) | 0.38 | 5.6 | -10.43 | 0 | 3 | 0 | 51 | 194.23 | 2 | ↓ |