| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 10 | 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) | 0.72 | 3.83 | -103.14 | 3 | 2 | 2 | 21 | 142.246 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.72 | 1.77 | -35.5 | 2 | 2 | 1 | 20 | 141.238 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.72 | -0.23 | -1.14 | 1 | 2 | 0 | 15 | 140.23 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.72 | 2.15 | -28.69 | 2 | 2 | 1 | 16 | 141.238 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
