| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 6th, 2009 | 33 | Yes |
Popular Name: 7-(2,6-dimethylphenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine 7-(2,6-dimethylphenyl)-N-[4-(2-p…
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| 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) | 6.57 | 15.02 | -39.32 | 2 | 6 | 1 | 64 | 440.571 | 7 | ↓ |
| Hi High (pH 8-9.5) | 6.57 | 12.46 | -9.77 | 1 | 6 | 0 | 63 | 439.563 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SRC-1-E | Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic | Eukaryotes | 15 | 0.33 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 15 | 0.33 | Binding ≤ 1μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 15 | 0.33 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Signaling by ERBB2 |
