In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 21st, 2011 | 40 | 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) | 8.74 | 15.81 | -5.02 | 2 | 4 | 0 | 46 | 611.4 | 5 | ↓ |
Lo Low (pH 4.5-6) | 8.74 | 15.98 | -13.92 | 3 | 4 | 0 | 50 | 612.408 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.