| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 30th, 2008 | 38 | No |
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) | 5.86 | 10.89 | -44.29 | 2 | 8 | 1 | 84 | 559.518 | 11 | ↓ |
| Hi High (pH 8-9.5) | 5.86 | 8.58 | -12.24 | 1 | 8 | 0 | 83 | 558.51 | 11 | ↓ |
| Mid Mid (pH 6-8) | 5.86 | 10.89 | -47.45 | 2 | 8 | 1 | 84 | 559.518 | 11 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SRC-1-E | Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1 | 0.33 | Binding ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 160 | 0.25 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 1.1 | 0.33 | Binding ≤ 1μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 1.1 | 0.33 | Binding ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 160 | 0.25 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Signaling by ERBB2 |
