In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 24th, 2014 | 14 | 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) | 2.72 | 5.58 | -6.33 | 1 | 3 | 0 | 38 | 250.099 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.72 | 6.03 | -33.24 | 2 | 3 | 1 | 39 | 251.107 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.