In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 15th, 2012 | 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) | 5.94 | 11.31 | -56.82 | 1 | 4 | -1 | 77 | 469.686 | 2 | ↓ |
Lo Low (pH 4.5-6) | 5.94 | 9.31 | -9.84 | 2 | 4 | 0 | 75 | 470.694 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.