In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 18th, 2009 | 33 | 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) | -0.29 | 6.72 | -20.11 | 2 | 11 | 0 | 135 | 450.455 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.79 | 5.84 | -55.12 | 1 | 11 | -1 | 142 | 449.447 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.