In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 27th, 2004 | 15 | 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) | 5.02 | 9.49 | -45.26 | 0 | 2 | -1 | 40 | 211.325 | 11 | ↓ |
Lo Low (pH 4.5-6) | 5.02 | 8.37 | -6.81 | 1 | 2 | 0 | 37 | 212.333 | 11 | ↓ |