| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 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) | -0.42 | 1.07 | -7.87 | 1 | 5 | 0 | 52 | 222.292 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.42 | 3.39 | -39.44 | 2 | 5 | 1 | 54 | 223.3 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.42 | 3.84 | -82.95 | 3 | 5 | 2 | 55 | 224.308 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.42 | 1.52 | -32.54 | 2 | 5 | 1 | 54 | 223.3 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
