In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2010 | 23 | 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) | 3.05 | 8.98 | -43.46 | 1 | 4 | 1 | 28 | 324.533 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.05 | 11.06 | -111.79 | 2 | 4 | 2 | 29 | 325.541 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.05 | 8.56 | -41.61 | 1 | 4 | 1 | 28 | 324.533 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.