| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 28th, 2008 | 39 | 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) | 5.87 | 11.18 | -46.5 | 2 | 8 | 1 | 84 | 567.497 | 8 | ↓ |
| Mid Mid (pH 6-8) | 5.87 | 11.08 | -46.59 | 2 | 8 | 1 | 84 | 567.497 | 8 | ↓ |
| Mid Mid (pH 6-8) | 5.87 | 8.71 | -14.74 | 1 | 8 | 0 | 83 | 566.489 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 5.87 | 11.58 | -89.99 | 3 | 8 | 2 | 85 | 568.505 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SRC-1-E | Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| SRC-1-E | Tyrosine-protein Kinase SRC (cluster #1 Of 1), Eukaryotic | Eukaryotes | 61 | 0.26 | Functional ≤ 10μM |
| Z80416-1-O | Rat1 (Fibroblast Cells) (cluster #1 Of 1), Other | Other | 61 | 0.26 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 0.29 | 0.34 | Binding ≤ 1μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 0.29 | 0.34 | Binding ≤ 10μM |
| Z80416 | Z80416 | Rat1 (Fibroblast Cells) | 61 | 0.26 | Functional ≤ 10μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 61 | 0.26 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Signaling by ERBB2 |
