| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 14 | 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) | 0.74 | 3.3 | -85.55 | 3 | 3 | 2 | 24 | 199.342 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.74 | 2.05 | -32.64 | 2 | 3 | 1 | 20 | 198.334 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.74 | 0.94 | -37.02 | 2 | 3 | 1 | 23 | 198.334 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.74 | -0.32 | -1.68 | 1 | 3 | 0 | 19 | 197.326 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
