In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 5th, 2008 | 31 | 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) | 0.78 | -7.56 | -52.21 | 2 | 8 | 1 | 93 | 465.621 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.78 | -7.49 | -96.09 | 3 | 8 | 2 | 94 | 466.629 | 6 | ↓ |