UCSF

ZINC43833257

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 46 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) 3.74 12.25 -57.99 4 12 1 179 641.738 11
Mid Mid (pH 6-8) 3.74 11.93 -18.22 3 12 0 178 640.73 11
Lo Low (pH 4.5-6) 3.74 12.7 -98.88 5 12 2 180 642.746 11

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 620 0.19 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 620 0.19 Binding ≤ 1μM
SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 620 0.19 Binding ≤ 10μM

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