| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 2009 | 24 | No |
Popular Name: (5Z)-5-benzylidene-1-(3,5-dichlorophenyl)hexahydropyrimidine-2,4,6-trione (5Z)-5-benzylidene-1-(3,5-dichlo…
| 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) | 3.80 | 6.22 | -40.65 | 0 | 5 | -1 | 75 | 360.176 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.34 | 8 | -8.32 | 1 | 5 | 0 | 72 | 361.184 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ITA4-1-E | Integrin Alpha-4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1600 | 0.34 | Binding ≤ 10μM |
| ITB7-1-E | Integrin Beta-7 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1600 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ITA4_HUMAN | P13612 | Integrin Alpha-4, Human | 1600 | 0.34 | Binding ≤ 10μM |
| ITB7_HUMAN | P26010 | Integrin Beta-7, Human | 1600 | 0.34 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Cell surface interactions at the vascular wall | |
| Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell | |
| Integrin cell surface interactions |
