| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2008 | 16 | 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) | -3.31 | -1.97 | -79.1 | 3 | 7 | -1 | 120 | 249.183 | 4 | ↓ |
| Hi High (pH 8-9.5) | -3.31 | 1.37 | -135.52 | 2 | 7 | -2 | 120 | 248.175 | 4 | ↓ |
| Mid Mid (pH 6-8) | -3.31 | 1.56 | -171.32 | 3 | 7 | -1 | 124 | 249.183 | 4 | ↓ |
| Mid Mid (pH 6-8) | -3.31 | 0.41 | -112.9 | 4 | 7 | 0 | 122 | 250.191 | 4 | ↓ |
| Mid Mid (pH 6-8) | -3.31 | -0.81 | -169.29 | 2 | 7 | -2 | 123 | 248.175 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.