In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2011 | 31 | 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) | -0.78 | 4.47 | -101.18 | 4 | 11 | 0 | 161 | 481.585 | 9 | ↓ |
Hi High (pH 8-9.5) | -0.78 | 4.08 | -65.56 | 3 | 11 | -1 | 159 | 480.577 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.