| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 14th, 2009 | 26 | Yes |
Popular Name: 7-(2,6-dimethylphenyl)-5-methyl-N-(4-pyridyl)-1,2,4-benzotriazin-3-amine 7-(2,6-dimethylphenyl)-5-methyl-…
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) | 5.17 | 11.83 | -35.71 | 2 | 5 | 1 | 65 | 342.426 | 3 | ↓ |
| Hi High (pH 8-9.5) | 5.17 | 11.37 | -8.52 | 1 | 5 | 0 | 64 | 341.418 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SRC-1-E | Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic | Eukaryotes | 40 | 0.40 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 40 | 0.40 | Binding ≤ 1μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 40 | 0.40 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Signaling by ERBB2 |
