| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 12th, 2008 | 23 | No |
| 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) | 5.00 | 7 | -8.16 | 2 | 9 | 0 | 136 | 316.273 | 5 | ↓ |
| Hi High (pH 8-9.5) | 5.00 | 7.52 | -39.32 | 1 | 9 | -1 | 139 | 315.265 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 5.00 | 7.77 | -45.17 | 3 | 9 | 1 | 138 | 317.281 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 259 | MolMall (formerly Molecular Diversity Preservation International) |
No pre-computed analogs available. Try a structural similarity search.
