| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 12th, 2011 | 12 | Yes |
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) | 0.23 | 0.49 | -6.92 | 4 | 5 | 0 | 83 | 163.184 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.23 | 0.62 | -31.71 | 5 | 5 | 1 | 85 | 164.192 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.23 | 0.59 | -9.24 | 4 | 5 | 0 | 83 | 163.184 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.23 | 0.56 | -10.63 | 4 | 5 | 0 | 83 | 163.184 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.23 | 0.68 | -29.33 | 5 | 5 | 1 | 85 | 164.192 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
