| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 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) | 3.13 | 6.17 | -39.57 | 3 | 2 | 1 | 41 | 235.31 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.13 | 5.76 | -6.37 | 2 | 2 | 0 | 39 | 234.302 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.13 | 6.63 | -98.39 | 4 | 2 | 2 | 42 | 236.318 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
