UCSF

ZINC01552344

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 23 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) 3.95 8.47 -11 4 6 0 96 324.469 11

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50591-1-O Bos Taurus (cluster #1 Of 2), Other Other 240 0.40 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50591 Z50591 Bos Taurus 240 0.40 Functional ≤ 10μM

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