In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2011 | 28 | 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) | -1.32 | 0.45 | -122.31 | 2 | 10 | -2 | 159 | 427.46 | 6 | ↓ |
Hi High (pH 8-9.5) | -1.32 | 0.54 | -214.97 | 1 | 10 | -3 | 161 | 426.452 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.