UCSF

ZINC03780852

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 21 No

Popular Name: Zofenoprilat Zofenoprilat

Find On: PubMed — Wikipedia — Google

CAS Numbers: 81872-09-5 , [75176-37-3]

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) 0.69 -0.84 -55.16 0 4 -1 60 324.447 5 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 5.19e-02 g/l DrugBank-experimental
PUBCHEM_PATENT_ID US4316906 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 0.63 Binding ≤ 1μM
ACE_HUMAN P12821 Angiotensin-converting Enzyme, Human 0.4 0.63 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Metabolism of Angiotensinogen to Angiotensins

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