| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 38 | Yes |
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) | 3.35 | 8.66 | -48.88 | 2 | 10 | 1 | 103 | 522.626 | 11 | ↓ |
| Hi High (pH 8-9.5) | 3.35 | 6.2 | -16.23 | 1 | 10 | 0 | 101 | 521.618 | 11 | ↓ |
| Mid Mid (pH 6-8) | 3.35 | 8.52 | -51.94 | 2 | 10 | 1 | 103 | 522.626 | 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 | 5 | 0.31 | Binding ≤ 10μM |
| Z81328-1-O | Src-transformed (Fibroblast Cells) (cluster #1 Of 1), Other | Other | 1200 | 0.22 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 5.1 | 0.31 | Binding ≤ 1μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 5.1 | 0.31 | Binding ≤ 10μM |
| Z81328 | Z81328 | Src-transformed (Fibroblast Cells) | 1200 | 0.22 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Signaling by ERBB2 |
