UCSF

ZINC00057198

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 23 Yes

Popular Name: Acepromazine maleate Acepromazine maleate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3598-37-6 , 61-00-7

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) 4.25 11.5 -41.8 1 3 1 26 327.473 5 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 9.80e-03 g/l DrugBank-approved
Therapy sedative SMDC Pharmakon
Patent Database Links US2004254182; US2005080075; US2007259952; WO2007124757 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PRIO-1-E Prion Protein (cluster #1 Of 1), Eukaryotic Eukaryotes 5000 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PRIO_HUMAN P04156 Prion Protein, Human 5000 0.32 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
NCAM1 interactions

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