| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 2nd, 2014 | 21 | 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) | 3.39 | 7.62 | -8.22 | 1 | 3 | 0 | 46 | 312.316 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.85 | 5.84 | -41.97 | 0 | 3 | -1 | 49 | 311.308 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.39 | 7.02 | -18.94 | 1 | 3 | 0 | 46 | 312.316 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.