UCSF

ZINC36351367

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 24 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) 6.54 10.7 -9.47 1 3 0 41 339.564 13

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ERG7-2-E Lanosterol Synthase (cluster #2 Of 3), Eukaryotic Eukaryotes 10000 0.29 Binding ≤ 10μM
Z81020-4-O HepG2 (Hepatoblastoma Cells) (cluster #4 Of 8), Other Other 12 0.46 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ERG7_RAT P48450 Lanosterol Synthase, Rat 10000 0.29 Binding ≤ 10μM
Z81020 Z81020 HepG2 (Hepatoblastoma Cells) 12 0.46 Functional ≤ 10μM

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