UCSF

ZINC29568377

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2009 31 Yes

Popular Name: (2R,4S)-2-benzyl-4-hydroxy-N-[(1S,2R)-2-hydroxyindan-1-yl]-5-phenyl-pentanamide (2R,4S)-2-benzyl-4-hydroxy-N-[(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) 3.95 9.16 -14.6 3 4 0 70 415.533 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q72874-1-V Human Immunodeficiency Virus Type 1 Protease (cluster #1 Of 3), Viral Viruses 1200 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q72874_9HIV1 Q72874 Human Immunodeficiency Virus Type 1 Protease, 9hiv1 1200 0.27 Binding ≤ 10μM

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