In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 10th, 2009 | 33 | 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) | 0.87 | 6.12 | -20.55 | 1 | 8 | 0 | 92 | 450.539 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.87 | 6.58 | -61.39 | 2 | 8 | 1 | 93 | 451.547 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.