UCSF

ZINC13449724

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 23 No

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) 0.60 4.76 -49.87 1 5 -1 86 350.441 6
Hi High (pH 8-9.5) 0.60 5.3 -89.82 1 5 -2 86 349.433 6

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NEP-1-E Neprilysin (cluster #1 Of 2), Eukaryotic Eukaryotes 2 0.53 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NEP_RAT P07861 Neprilysin, Rat 1.7 0.53 Binding ≤ 1μM
NEP_RAT P07861 Neprilysin, Rat 1.7 0.53 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Metabolism of Angiotensinogen to Angiotensins

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