UCSF

ZINC08143632

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2006 40 No

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) -5.28 -15.28 -142.69 19 19 3 339 584.604 11
Mid Mid (pH 6-8) -5.28 -16.72 -90.55 18 19 2 335 583.596 11

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TARB1-1-E TAR RNA Binding Protein 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 9500 0.18 Binding ≤ 10μM
TRBP2-1-E TAR RNA Binding Protein 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 9500 0.18 Binding ≤ 10μM
Z50212-7-O Escherichia Coli (cluster #7 Of 7), Other Other 1050 0.21 Functional ≤ 10μM
Z50380-2-O Mycobacterium Smegmatis (cluster #2 Of 4), Other Other 500 0.22 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TARB1_HUMAN Q13395 TAR RNA Binding Protein 1, Human 9500 0.18 Binding ≤ 10μM
TRBP2_HUMAN Q15633 TAR RNA Binding Protein 2, Human 9500 0.18 Binding ≤ 10μM
Z50212 Z50212 Escherichia Coli 1050 0.21 Functional ≤ 10μM
Z50380 Z50380 Mycobacterium Smegmatis 480 0.22 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
MicroRNA (miRNA) biogenesis
Small interfering RNA (siRNA) biogenesis

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