| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 4th, 2010 | 37 | No |
Popular Name: Isochlorogenic acid A Isochlorogenic acid A
Find On: PubMed — Wikipedia — Google
CAS Numbers: 2450-53-5 , 89919-62-0 , [2450-53-5]
| 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) | 1.42 | 1.26 | -60.65 | 6 | 12 | -1 | 214 | 515.447 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q7ZJM1-5-V | Human Immunodeficiency Virus Type 1 Integrase (cluster #5 Of 6), Viral | Viruses | 1300 | 0.22 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q7ZJM1_9HIV1 | Q7ZJM1 | Human Immunodeficiency Virus Type 1 Integrase, 9hiv1 | 1300 | 0.22 | Binding ≤ 10μM |
