In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 21 | 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) | 3.34 | 7.66 | -11.22 | 3 | 4 | 0 | 60 | 279.343 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.34 | 8.03 | -26.37 | 4 | 4 | 1 | 61 | 280.351 | 5 | ↓ |