| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2011 | 41 | No |
Popular Name: benzyl benzyl
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) | 7.84 | 15.56 | -14.72 | 1 | 4 | 0 | 64 | 560.819 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z103202-1-O | 8505C (cluster #1 Of 2), Other | Other | 8100 | 0.17 | Functional ≤ 10μM |
| Z80526-1-O | SW480 (Colon Adenocarcinoma Cells) (cluster #1 Of 6), Other | Other | 6170 | 0.18 | Functional ≤ 10μM |
| Z80682-3-O | A549 (Lung Carcinoma Cells) (cluster #3 Of 11), Other | Other | 6150 | 0.18 | Functional ≤ 10μM |
| Z80847-2-O | FaDu (Pharyngeal Carcinoma Cells) (cluster #2 Of 3), Other | Other | 5480 | 0.18 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z103202 | Z103202 | 8505C | 8100 | 0.17 | Functional ≤ 10μM |
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 6150 | 0.18 | Functional ≤ 10μM |
| Z80847 | Z80847 | FaDu (Pharyngeal Carcinoma Cells) | 5480 | 0.18 | Functional ≤ 10μM |
| Z80526 | Z80526 | SW480 (Colon Adenocarcinoma Cells) | 6170 | 0.18 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
