| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 11th, 2009 | 28 | No |
Popular Name: 3,6-dimethyl-N1,N4-bis(m-tolyl)-1,2,4,5-tetrazine-1,4-dicarboxamide 3,6-dimethyl-N1,N4-bis(m-tolyl)-…
| 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) | 3.05 | 10.78 | -8.36 | 2 | 8 | 0 | 94 | 378.436 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other | Other | 500 | 0.32 | Functional ≤ 10μM |
| Z80362-3-O | P388 (Lymphoma Cells) (cluster #3 Of 8), Other | Other | 2300 | 0.28 | Functional ≤ 10μM |
| Z80682-2-O | A549 (Lung Carcinoma Cells) (cluster #2 Of 11), Other | Other | 700 | 0.31 | Functional ≤ 10μM |
| Z80697-1-O | Bel-7402 (Hepatoma Cells) (cluster #1 Of 3), Other | Other | 600 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 700 | 0.31 | Functional ≤ 10μM |
| Z80697 | Z80697 | Bel-7402 (Hepatoma Cells) | 600 | 0.31 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 500 | 0.32 | Functional ≤ 10μM |
| Z80362 | Z80362 | P388 (Lymphoma Cells) | 2300 | 0.28 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.