UCSF

ZINC43920134

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 29 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) -0.14 14.32 -50.93 0 8 0 94 439.53 20

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50592-2-O Oryctolagus Cuniculus (cluster #2 Of 8), Other Other 9 0.39 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50592 Z50592 Oryctolagus Cuniculus 1200 0.29 Functional ≤ 10μM

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