| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2005 | 21 | 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) | 1.65 | -3.03 | -9.4 | 2 | 5 | 0 | 75 | 313.781 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| UniProt Database Links | SALL_SALTO | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50592-3-O | Oryctolagus Cuniculus (cluster #3 Of 8), Other | Other | 430 | 0.42 | Functional ≤ 10μM |
| Z80433-1-O | RPMI-8226 (Multiple Myeloma Cells) (cluster #1 Of 3), Other | Other | 8 | 0.54 | Functional ≤ 10μM |
| Z80928-1-O | HCT-116 (Colon Carcinoma Cells) (cluster #1 Of 9), Other | Other | 16 | 0.52 | Functional ≤ 10μM |
| Z80936-2-O | HEK293 (Embryonic Kidney Fibroblasts) (cluster #2 Of 4), Other | Other | 3800 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 16 | 0.52 | Functional ≤ 10μM |
| Z80936 | Z80936 | HEK293 (Embryonic Kidney Fibroblasts) | 11 | 0.53 | Functional ≤ 10μM |
| Z50592 | Z50592 | Oryctolagus Cuniculus | 2.6 | 0.57 | Functional ≤ 10μM |
| Z80433 | Z80433 | RPMI-8226 (Multiple Myeloma Cells) | 1900 | 0.38 | Functional ≤ 10μM |
