In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 11th, 2009 | 34 | 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) | 3.09 | 11.62 | -83.03 | 1 | 8 | 0 | 96 | 470.566 | 13 | ↓ |
Lo Low (pH 4.5-6) | 3.09 | 10.66 | -56.44 | 2 | 8 | 1 | 94 | 471.574 | 13 | ↓ |