UCSF

ZINC66066518

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 43 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) 5.59 12.37 -84.79 7 8 2 132 578.761 7
Hi High (pH 8-9.5) 5.59 11.99 -33.3 6 8 1 131 577.753 7

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TSPOA-1-E Translocator Protein (cluster #1 Of 1), Eukaryotic Eukaryotes 5600 0.17 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TSPOA_HUMAN P30536 Translocator Protein, Human 5600 0.17 Binding ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.