In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2010 | 30 | 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) | 4.03 | 7.94 | -12.28 | 2 | 7 | 0 | 90 | 469.708 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.03 | 9.07 | -40.35 | 3 | 7 | 1 | 94 | 470.716 | 6 | ↓ |