| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2011 | 23 | 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) | 2.42 | 8.67 | -71.5 | 3 | 5 | 2 | 39 | 321.513 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.42 | 6.28 | -4.55 | 1 | 5 | 0 | 36 | 319.497 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.42 | 8.54 | -35.15 | 2 | 5 | 1 | 38 | 320.505 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
