UCSF

ZINC13493826

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 29 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) 6.58 9.83 -11.2 3 5 0 70 469.155 4

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PPIA-1-E Cyclophilin A (cluster #1 Of 2), Eukaryotic Eukaryotes 690 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PPIA_RAT P10111 Cyclophilin A, Rat 690 0.30 Binding ≤ 1μM
PPIA_RAT P10111 Cyclophilin A, Rat 690 0.30 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Basigin interactions
Platelet degranulation

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