| 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) | 2.27 | 6.23 | -42.43 | 2 | 3 | 1 | 33 | 228.319 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.27 | 4.98 | -4.67 | 1 | 3 | 0 | 28 | 227.311 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.27 | 6.68 | -85.65 | 3 | 3 | 2 | 34 | 229.327 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
