UCSF

ZINC18188160

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 10 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) -0.06 1.14 -9.35 3 4 0 68 134.142 0
Lo Low (pH 4.5-6) -0.06 1.59 -40.51 4 4 1 69 135.15 0

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80945-3-O HEp-2 (Laryngeal Carcinoma Cells) (cluster #3 Of 4), Other Other 7000 0.72 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80945 Z80945 HEp-2 (Laryngeal Carcinoma Cells) 7000 0.72 Functional ≤ 10μM

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