UCSF

ZINC45288748

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 26 Yes

Popular Name: MF-152 MF-152

Find On: PubMed — Wikipedia — Google

CAS Number: 916888-66-9

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) 1.45 4.86 -18.2 2 6 0 80 384.383 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACOD-1-E Acyl-CoA Desaturase (cluster #1 Of 1), Eukaryotic Eukaryotes 300 0.35 Binding ≤ 10μM
ACOD1-1-E Acyl-CoA Desaturase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 106 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACOD_HUMAN O00767 Acyl-CoA Desaturase, Human 254 0.36 Binding ≤ 1μM
ACOD1_RAT P07308 Acyl-CoA Desaturase 1, Rat 100 0.38 Binding ≤ 1μM
ACOD_HUMAN O00767 Acyl-CoA Desaturase, Human 254 0.36 Binding ≤ 10μM
ACOD1_RAT P07308 Acyl-CoA Desaturase 1, Rat 100 0.38 Binding ≤ 10μM

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

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