UCSF

ZINC08969139

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 19 No

Popular Name: 5-(4-N,N-Dimethylaminobenzylidine)Barbutyric Acid 5-(4-N,N-Dimethylaminobenzylidin…

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CAS Number: 1753-47-5

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) 0.85 -0.81 -44.22 1 6 -1 89 258.257 2 ↓
Mid Mid (pH 6-8) 0.85 -0.68 -43.42 1 6 -1 89 258.257 2 ↓
Mid Mid (pH 6-8) 0.40 1.9 -8.41 2 6 0 86 259.265 2 ↓
Mid Mid (pH 6-8) 0.85 -0.69 -43.48 1 6 -1 89 258.257 2 ↓

Vendor Notes

Note Type Comments Provided By
mp 245 MolMall (formerly Molecular Diversity Preservation International)
MP 289-290o C Indofine
SOLUBILITY Solubl ein THF Indofine

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 10000 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPM1_HUMAN P53582 Methionine Aminopeptidase 1, Human 10000 0.37 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.