| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2010 | 22 | No |
Popular Name: Aicar Aicar
| 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) | -2.81 | -8.28 | -212.52 | 7 | 12 | 0 | 208 | 338.213 | 5 | ↓ |
| Hi High (pH 8-9.5) | -2.81 | -9.22 | -18.39 | 5 | 12 | 0 | 205 | 336.197 | 5 | ↓ |
| Hi High (pH 8-9.5) | -2.81 | -9.26 | -19.43 | 5 | 12 | 0 | 205 | 336.197 | 5 | ↓ |
| Mid Mid (pH 6-8) | -2.81 | -9.31 | -66.29 | 6 | 12 | 0 | 206 | 337.205 | 5 | ↓ |
| Mid Mid (pH 6-8) | -2.81 | -9.44 | -64.64 | 8 | 12 | 0 | 205 | 339.221 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 2.79e+00 g/l | DrugBank-experimental |
No pre-computed analogs available. Try a structural similarity search.