In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 21st, 2010 | 35 | Yes |
None
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) | 3.09 | 7.42 | -15.12 | 2 | 8 | 0 | 101 | 497.979 | 10 | ↓ |
Lo Low (pH 4.5-6) | 3.09 | 9.83 | -54.95 | 3 | 8 | 1 | 102 | 498.987 | 10 | ↓ |