| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 20 | 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) | 2.22 | 5.76 | -9.39 | 1 | 4 | 0 | 49 | 287.388 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.68 | 3.89 | -49.96 | 0 | 4 | -1 | 52 | 286.38 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.68 | 5.98 | -55.3 | 1 | 4 | 0 | 53 | 287.388 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.22 | 7.9 | -44.98 | 2 | 4 | 1 | 50 | 288.396 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
