UCSF

ZINC28566781

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2009 20 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) 3.82 2.95 -8.73 3 3 0 61 288.472 12

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z100498-1-O Hepatocytes (cluster #1 Of 2), Other Other 6400 0.36 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z100498 Z100498 Hepatocytes 6400 0.36 Functional ≤ 10μM

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