UCSF

ZINC19536830

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 14 Yes

Popular Name: 1-Benzyl-4-methylpiperazine hydrochloride 1-Benzyl-4-methylpiperazine hydr…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 374898-00-7 , 62226-74-8 , 861020-53-3

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) 1.63 5.74 -34.01 1 2 1 8 191.298 2 ↓
Mid Mid (pH 6-8) 1.63 5.67 -34.03 1 2 1 8 191.298 2 ↓
Mid Mid (pH 6-8) 1.63 3.27 -2.27 0 2 0 6 190.29 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 111-114? Alfa-Aesar
Melting_Point 111-114° Alfa-Aesar
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MC4R-1-E Melanocortin Receptor 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 2000 0.57 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MC4R_HUMAN P32245 Melanocortin Receptor 4, Human 2000 0.57 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (s) signalling events
Peptide ligand-binding receptors

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