| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2008 | 25 | 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) | 2.52 | 14.43 | -21.72 | 0 | 2 | 1 | 9 | 365.547 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80110-1-O | CV-1 (Kidney Cells) (cluster #1 Of 2), Other | Other | 1200 | 0.33 | Functional ≤ 10μM |
| Z80111-1-O | CX-1 (cluster #1 Of 1), Other | Other | 60 | 0.40 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80110 | Z80110 | CV-1 (Kidney Cells) | 1200 | 0.33 | Functional ≤ 10μM |
| Z80111 | Z80111 | CX-1 | 60 | 0.40 | Functional ≤ 10μM |
