UCSF

ZINC03775162

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 29 No

Popular Name: Zofenopril Calcium Zofenopril Calcium

Find On: PubMed — Wikipedia — Google

CAS Numbers: 75176-37-3 , 81872-10-8 , 81938-43-4 , [81938-43-4]

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) 2.36 13.05 -64.23 0 5 -1 78 428.555 8 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000007984A1 IBM Patent Data

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 0 0.00 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACE_HUMAN P12821 Angiotensin-converting Enzyme, Human 0.4 0.45 Binding ≤ 1μM
ACE_HUMAN P12821 Angiotensin-converting Enzyme, Human 0.4 0.45 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Metabolism of Angiotensinogen to Angiotensins

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