| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 14 | Yes |
Popular Name: alpha-Sulfophenylacetic acid alpha-Sulfophenylacetic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 41360-32-1 , [41360-32-1]
| 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) | -1.78 | -5.57 | -124.18 | 0 | 5 | -2 | 97 | 214.198 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 2.41e+00 g/l | DrugBank-experimental |
| Purity | 95% | Fluorochem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SRC-2-E | Tyrosine-protein Kinase SRC (cluster #2 Of 3), Eukaryotic | Eukaryotes | 3200 | 0.55 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 3200 | 0.55 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Signaling by ERBB2 |
