In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 11th, 2011 | 16 | Yes |
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) | 2.75 | 5.66 | -41.42 | 2 | 2 | 1 | 20 | 282.205 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.75 | 6.97 | -33.78 | 2 | 2 | 1 | 16 | 282.205 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.75 | 4.56 | -1.76 | 1 | 2 | 0 | 15 | 281.197 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.