| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2008 | 23 | No |
| 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) | 0.98 | 2.42 | -65.81 | 3 | 8 | 0 | 104 | 325.413 | 10 | ↓ |
| Hi High (pH 8-9.5) | 0.98 | 0.71 | -42.64 | 2 | 8 | -1 | 102 | 324.405 | 10 | ↓ |
| Hi High (pH 8-9.5) | 0.98 | 0.3 | -44.82 | 2 | 8 | -1 | 102 | 324.405 | 10 | ↓ |
| Mid Mid (pH 6-8) | 0.52 | 4.79 | -45.82 | 4 | 8 | 1 | 100 | 326.421 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
