In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 35 | 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) | 0.45 | 6.16 | -79.16 | 3 | 9 | 1 | 107 | 483.589 | 7 | ↓ |
Lo Low (pH 4.5-6) | 0.45 | 6.62 | -128.05 | 4 | 9 | 2 | 108 | 484.597 | 7 | ↓ |