In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 19th, 2008 | 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) | 2.36 | 3.56 | -25.92 | 5 | 9 | 0 | 149 | 471.908 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.36 | 3.89 | -70.83 | 6 | 9 | 1 | 150 | 472.916 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.