UCSF

ZINC27727766

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 22 No

Popular Name: (2R)-2-[[(2R)-2-benzyl-3-hydroxy-3-oxo-propanoyl]amino]-4-methyl-pentanoic (2R)-2-[[(2R)-2-benzyl-3-hydroxy…

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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) 0.27 6.9 -110.33 1 6 -2 109 305.33 8 ↓
Lo Low (pH 4.5-6) 0.27 5.77 -57.62 2 6 -1 107 306.338 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NEP-2-E Neprilysin (cluster #2 Of 2), Eukaryotic Eukaryotes 700 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NEP_MOUSE Q61391 Neprilysin, Mouse 700 0.39 Binding ≤ 1μM
NEP_MOUSE Q61391 Neprilysin, Mouse 700 0.39 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Metabolism of Angiotensinogen to Angiotensins

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