UCSF

ZINC00155383

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 12 Yes

Popular Name: 1-(4-Pyridyl)piperazine 1-(4-Pyridyl)piperazine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1008-91-9 , 142013-66-9 , 63006-93-9 , [1008-91-9]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 0.05 1.88 -87.98 3 3 2 34 165.24 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 131 - 133 Enamine Building Blocks
MP 131...133 Enamine Building Blocks
Melting_Point 136-141? Alfa-Aesar
Melting_Point 136-141° Alfa-Aesar
MP 142-144° Fluorochem
Boiling_Point 195-200?/0.3mm Alfa-Aesar
Boiling_Point 195-200°/0.3mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PLD1-2-E Phospholipase D1 (cluster #2 Of 2), Eukaryotic Eukaryotes 3600 0.64 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PLD1_HUMAN Q13393 Phospholipase D1, Human 3600 0.64 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Role of phospholipids in phagocytosis
Synthesis of PA
Synthesis of PG

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