In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 24th, 2009 | 38 | 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) | 3.60 | 3.05 | -39.85 | 5 | 11 | 1 | 165 | 514.518 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.60 | 3.82 | -20.13 | 4 | 11 | 0 | 168 | 513.51 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.