In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2011 | 25 | 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) | 0.83 | 3.82 | -13.87 | 1 | 7 | 0 | 74 | 345.447 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.83 | 6.08 | -52.22 | 2 | 7 | 1 | 75 | 346.455 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.