In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2010 | 29 | 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) | 3.62 | 8.65 | -12.04 | 2 | 6 | 0 | 72 | 413.474 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.80 | 7.35 | -36.29 | 3 | 6 | 1 | 78 | 414.482 | 6 | ↓ |