UCSF

ZINC29241818

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 19 Yes

Popular Name: 3-Deazaneplanocin,HClsalt 3-Deazaneplanocin,HClsalt

Find On: PubMed — Wikipedia — Google

CAS Numbers: 102052-95-9 , 217965-54-3

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) -1.61 -3.92 -17.2 5 7 0 117 262.269 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SAHH-1-E Adenosylhomocysteinase (cluster #1 Of 1), Eukaryotic Eukaryotes 31 0.55 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SAHH_HUMAN P23526 Adenosylhomocysteinase, Human 31 0.55 Binding ≤ 1μM
SAHH_HUMAN P23526 Adenosylhomocysteinase, Human 31 0.55 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Methylation
Sulfur amino acid metabolism

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