In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 19th, 2011 | 43 | 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) | 3.76 | 6.59 | -29.87 | 3 | 12 | 0 | 147 | 610.689 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.76 | 6.63 | -66.89 | 2 | 12 | -1 | 149 | 609.681 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.