| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 2nd, 2009 | 22 | Yes |
None
| 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) | 3.58 | 7.42 | -103.48 | 1 | 5 | -2 | 100 | 314.422 | 12 | ↓ |
| Lo Low (pH 4.5-6) | 3.58 | 6.3 | -56.95 | 2 | 5 | -1 | 98 | 315.43 | 12 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z100498-1-O | Hepatocytes (cluster #1 Of 2), Other | Other | 4700 | 0.34 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z100498 | Z100498 | Hepatocytes | 4700 | 0.34 | Functional ≤ 10μM |
