UCSF

ZINC13800956

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 22 Yes

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) 0.88 7.04 -14.47 0 7 0 80 306.318 7

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TNFA-1-E TNF-alpha (cluster #1 Of 1), Eukaryotic Eukaryotes 9000 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TNFA_HUMAN P01375 TNF-alpha, Human 9000 0.32 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
TNF signaling
Transcriptional regulation of white adipocyte differentiation

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