| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 34 | No |
None
None
| 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) | 3.42 | 7.7 | -103.7 | 4 | 7 | 0 | 83 | 467.61 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.42 | 5.89 | -48.61 | 1 | 7 | -1 | 83 | 464.586 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.42 | 5.34 | -10.87 | 2 | 7 | 0 | 80 | 465.594 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.42 | 7.59 | -44 | 3 | 7 | 1 | 82 | 466.602 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.42 | 7.77 | -122.92 | 4 | 7 | 0 | 83 | 467.61 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.42 | 8.29 | -74.8 | 3 | 7 | 0 | 86 | 466.602 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.42 | 5.44 | -50.8 | 3 | 7 | 0 | 82 | 466.602 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
