In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 18 | 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) | 2.95 | 9.31 | -45.25 | 0 | 3 | -1 | 49 | 247.314 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.95 | 7.33 | -7.44 | 1 | 3 | 0 | 47 | 248.322 | 6 | ↓ |