| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 23 | Yes |
Popular Name: N-(4-chlorophenyl)-2-piperazin-1-yl-9H-purin-6-amine N-(4-chlorophenyl)-2-piperazin-1…
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) | 3.68 | 9.93 | -47.63 | 4 | 7 | 1 | 86 | 330.803 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.68 | 8.57 | -9.72 | 3 | 7 | 0 | 82 | 329.795 | 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 | 1180 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 1180 | 0.36 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Signaling by ERBB2 |
