| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 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) | 1.61 | 8.21 | -82.99 | 2 | 4 | 2 | 27 | 252.406 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.61 | 5.96 | -27.67 | 1 | 4 | 1 | 26 | 251.398 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.61 | 7.01 | -40.82 | 1 | 4 | 1 | 26 | 251.398 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.61 | 4.77 | -6.67 | 0 | 4 | 0 | 24 | 250.39 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
