In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 11th, 2008 | 30 | No |
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) | 3.33 | 7.2 | -202.96 | 1 | 9 | -3 | 154 | 425.398 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.33 | 7.83 | -110.36 | 2 | 9 | -2 | 152 | 426.406 | 7 | ↓ |