UCSF

ZINC40876378

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 26 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) 1.14 0.46 -13.22 3 8 0 115 362.334 4

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z102342-1-O Liver (cluster #1 Of 1), Other Other 1900 0.31 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z102342 Z102342 Liver 1900 0.31 Functional ≤ 10μM

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