| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2008 | 24 | 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) | 3.36 | 10.42 | -45.11 | 2 | 5 | 1 | 61 | 320.372 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.55 | 8.97 | -74.86 | 3 | 5 | 2 | 66 | 321.38 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.36 | 9.91 | -16.41 | 1 | 5 | 0 | 60 | 319.364 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.55 | 8.46 | -34.87 | 2 | 5 | 1 | 65 | 320.372 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
