UCSF

ZINC53164616

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 36 No

Popular Name: Moexipril Moexipril

Find On: PubMed — Wikipedia — Google

CAS Numbers: 103775-10-6 , 103775-10-6; 82586-52-5 , 82586-52-5 , 82586-52-6 , [103775-10-6] , [82586-52-5]

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) 1.12 12.34 -69.87 1 9 -1 117 497.568 12 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 5.85e-03 g/l DrugBank-approved
Indications antihypertensive KeyOrganics Bioactives
Target RAAS Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACE-1-E Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACE_HUMAN P12821 Angiotensin-converting Enzyme, Human 2.6 0.33 Binding ≤ 1μM
ACE_HUMAN P12821 Angiotensin-converting Enzyme, Human 2.6 0.33 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Metabolism of Angiotensinogen to Angiotensins

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