| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 16 | 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) | 1.18 | 4.85 | -86.47 | 3 | 3 | 2 | 24 | 227.396 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.18 | 2.86 | -37.88 | 2 | 3 | 1 | 23 | 226.388 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.18 | 3.67 | -31.92 | 2 | 3 | 1 | 20 | 226.388 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.18 | 1.69 | -1.01 | 1 | 3 | 0 | 19 | 225.38 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
