In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 3rd, 2008 | 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) | 4.06 | 9.55 | -14.2 | 1 | 6 | 0 | 60 | 412.44 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.06 | 10.02 | -39.01 | 2 | 6 | 1 | 61 | 413.448 | 6 | ↓ |