| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 16th, 2010 | 18 | 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) | 1.93 | 6.08 | -65.71 | 3 | 5 | 0 | 80 | 250.298 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.93 | 3.66 | -49.54 | 2 | 5 | -1 | 79 | 249.29 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.93 | 5.94 | -73.89 | 4 | 5 | 1 | 81 | 251.306 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
