In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 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) | 3.22 | 9.81 | -68.17 | 1 | 8 | 0 | 93 | 464.518 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.22 | 9.05 | -50.59 | 2 | 8 | 1 | 90 | 465.526 | 7 | ↓ |