UCSF

ZINC01620956

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 14 No

Popular Name: LS-100396 LS-100396

Find On: PubMed — Wikipedia — Google

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) 0.77 1.16 -8.12 0 4 0 46 191.186 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80006-1-O 3T3-L1 (Fibroblast Cells) (cluster #1 Of 1), Other Other 10 0.80 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80006 Z80006 3T3-L1 (Fibroblast Cells) 10 0.80 Functional ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.