UCSF

ZINC06381342

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2006 28 Yes

CAS Number: [142566-61-8]

Other Names:

MFCD20274959

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) 1.79 0.61 -12.58 2 6 0 93 388.46 5

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80897-1-O H9 (T-lymphoid Cells) (cluster #1 Of 2), Other Other 2500 0.28 ADME/T ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80897 Z80897 H9 (T-lymphoid Cells) 2500 0.28 ADME/T ≤ 10μM

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