In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 31 | 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) | 3.77 | 11.27 | -79.57 | 1 | 6 | 0 | 74 | 442.943 | 9 | ↓ |
Lo Low (pH 4.5-6) | 3.77 | 10.52 | -55.68 | 2 | 6 | 1 | 71 | 443.951 | 9 | ↓ |