| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 14th, 2009 | 22 | No |
Popular Name: 4-chloro-N,N-bis(2-methoxyethyl)-3-nitro-benzenesulfonamide 4-chloro-N,N-bis(2-methoxyethyl)…
| 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 | 4.7 | -13.63 | 0 | 8 | 0 | 102 | 352.796 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| VCAM1-1-E | Vascular Cell Adhesion Protein 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5000 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| VCAM1_HUMAN | P19320 | Vascular Cell Adhesion Protein 1, Human | 5000 | 0.34 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell | |
| Integrin cell surface interactions | |
| Interferon gamma signaling |
