| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 17 | 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) | 1.26 | 3.05 | -41.77 | 3 | 3 | 1 | 50 | 229.303 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.26 | 1.66 | -6.08 | 2 | 3 | 0 | 45 | 228.295 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.26 | 3.51 | -87.95 | 4 | 3 | 2 | 51 | 230.311 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
