UCSF

ZINC43074763

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 30 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) 2.10 4.51 -72.54 8 8 2 134 408.458 10
Mid Mid (pH 6-8) 2.10 5.53 -51.71 7 8 1 137 407.45 10

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z81135-1-O L6 (Skeletal Muscle Myoblast Cells) (cluster #1 Of 6), Other Other 6530 0.24 ADME/T ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81135 Z81135 L6 (Skeletal Muscle Myoblast Cells) 6530 0.24 ADME/T ≤ 10μM

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