UCSF

ZINC26752028

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2009 29 No

Popular Name: (4S)-1-benzyl-3-[(2S)-2-[[(1S)-1-carboxy-3-methyl-butyl]amino]propanoyl]-2-oxo-imidazolidine-4-carbo (4S)-1-benzyl-3-[(2S)-2-[[(1S)-1…

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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) -1.86 10.57 -62.92 2 9 -1 137 404.443 9 ↓
Hi High (pH 8-9.5) -1.86 8.64 -114.02 1 9 -2 133 403.435 9 ↓

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 2 0.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACE_HUMAN P12821 Angiotensin-converting Enzyme, Human 2.1 0.42 Binding ≤ 1μM
ACE_HUMAN P12821 Angiotensin-converting Enzyme, Human 2.1 0.42 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Metabolism of Angiotensinogen to Angiotensins

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