UCSF

ZINC42784651

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 22 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) 7.56 10.22 -37.42 4 2 1 48 314.578 18
Hi High (pH 8-9.5) 7.56 9.92 -2.04 3 2 0 46 313.57 18

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50594-4-O Mus Musculus (cluster #4 Of 9), Other Other 867 0.39 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50594 Z50594 Mus Musculus 140 0.44 Functional ≤ 10μM

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