UCSF

ZINC05784821

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 23 No

Popular Name: quercetagetin quercetagetin

Find On: PubMed — Wikipedia — Google

CAS Number: 90-18-6

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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 -4.51 -14.32 6 8 0 152 318.237 1 ↓
Hi High (pH 8-9.5) 1.42 -3.19 -52.71 5 8 -1 154 317.229 1 ↓
Mid Mid (pH 6-8) 0.97 -3.77 -40.86 5 8 -1 154 317.229 1 ↓

Vendor Notes

Note Type Comments Provided By
M.P. >300 C Indofine
MP >300o C Indofine
Target Cell division protein kinase 2(P24941) Herbal Ingredients Targets
UniProt Database Links FOMT2_WHEAT ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PIM1-1-E Serine/threonine-protein Kinase PIM1 (cluster #1 Of 1), Eukaryotic Eukaryotes 340 0.39 Binding ≤ 10μM
Q7ZJM1-1-V Human Immunodeficiency Virus Type 1 Integrase (cluster #1 Of 6), Viral Viruses 800 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q7ZJM1_9HIV1 Q7ZJM1 Human Immunodeficiency Virus Type 1 Integrase, 9hiv1 100 0.43 Binding ≤ 1μM
PIM1_HUMAN P11309 Serine/threonine-protein Kinase PIM1, Human 340 0.39 Binding ≤ 1μM
Q7ZJM1_9HIV1 Q7ZJM1 Human Immunodeficiency Virus Type 1 Integrase, 9hiv1 100 0.43 Binding ≤ 10μM
PIM1_HUMAN P11309 Serine/threonine-protein Kinase PIM1, Human 340 0.39 Binding ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )