| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 4th, 2010 | 34 | No |
Popular Name: Chicoric acid Chicoric acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 70831-56-0 , [70831-56-0]
(-)-chicoric acid;Chicoric acid;Dicaffeoyl-L-tartaric acid;L-Chicoric acid;L-Dcta
(2R,3R)-2,3-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy}butanedioic acid
| 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) | 1.27 | 4.82 | -135.41 | 4 | 12 | -2 | 214 | 472.358 | 11 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q7ZJM1-1-V | Human Immunodeficiency Virus Type 1 Integrase (cluster #1 Of 6), Viral | Viruses | 70 | 0.29 | Binding ≤ 10μM |
| Q7ZJM1-1-V | Human Immunodeficiency Virus Type 1 Integrase (cluster #1 Of 6), Viral | Viruses | 80 | 0.29 | Binding ≤ 10μM |
| Z80076-3-O | CEM-SS (T-cell Leukemia) (cluster #3 Of 5), Other | Other | 9800 | 0.21 | Functional ≤ 10μM |
| Z80295-6-O | MT4 (Lymphocytes) (cluster #6 Of 8), Other | Other | 8600 | 0.21 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q7ZJM1_9HIV1 | Q7ZJM1 | Human Immunodeficiency Virus Type 1 Integrase, 9hiv1 | 500 | 0.26 | Binding ≤ 1μM |
| Q7ZJM1_9HIV1 | Q7ZJM1 | Human Immunodeficiency Virus Type 1 Integrase, 9hiv1 | 1100 | 0.25 | Binding ≤ 10μM |
| Z80076 | Z80076 | CEM-SS (T-cell Leukemia) | 9800 | 0.21 | Functional ≤ 10μM |
| Z80295 | Z80295 | MT4 (Lymphocytes) | 1700 | 0.24 | Functional ≤ 10μM |
