UCSF

ZINC01575001

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 17 No

Popular Name: (5Z)-5-(4-fluorobenzylidene)-6-keto-2-thioxo-pyrimidin-4-olate (5Z)-5-(4-fluorobenzylidene)-6-k…

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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) 1.26 2.5 -36.49 1 4 -1 69 249.246 1 ↓
Lo Low (pH 4.5-6) 1.26 2.55 -38.34 1 4 -1 69 249.246 1 ↓
Lo Low (pH 4.5-6) 0.80 4.22 -9.56 2 4 0 66 250.254 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPM1-2-E Methionine Aminopeptidase 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 6000 0.43 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPM1_HUMAN P53582 Methionine Aminopeptidase 1, Human 6000 0.43 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Inactivation, recovery and regulation of the phototransduction cascade

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

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