In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 37 | 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) | 2.68 | 9.68 | -51.7 | 4 | 8 | 1 | 108 | 497.623 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.68 | 10.11 | -105.92 | 5 | 8 | 2 | 109 | 498.631 | 4 | ↓ |