UCSF

ZINC02900976

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 23 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) 6.21 1.95 -7.67 1 2 0 24 354.784 4

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TERA-1-E Transitional Endoplasmic Reticulum ATPase (cluster #1 Of 1), Eukaryotic Eukaryotes 8300 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TERA_HUMAN P55072 Transitional Endoplasmic Reticulum ATPase, Human 8300 0.31 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Hedgehog ligand biogenesis
Hh ligand biogenesis disease
HSF1 activation

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