In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2008 | 13 | 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) | 1.56 | 5.14 | -8.82 | 1 | 3 | 0 | 37 | 193.275 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.56 | 5.21 | -28.34 | 2 | 3 | 1 | 39 | 194.283 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.56 | 4.61 | -26.38 | 2 | 3 | 1 | 39 | 194.283 | 1 | ↓ |