| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 15 | 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) | 0.14 | 6.19 | -80.84 | 3 | 5 | 2 | 58 | 205.265 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.14 | 5.5 | -14.96 | 1 | 5 | 0 | 56 | 203.249 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.14 | 6.02 | -41.83 | 2 | 5 | 1 | 57 | 204.257 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.14 | 6.19 | -79.66 | 3 | 5 | 2 | 58 | 205.265 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
