UCSF

ZINC76945611

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2012 45 No

CAS Number: 28575-34-0

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.21 4.44 -58.37 7 14 -1 226 642.815 20

Vendor Notes

Note Type Comments Provided By
Notes Inhibitor of aspartyl proteases, particularly effective onHIV-I proteinase and HIV-II proteinase Apollo Scientific Bioactives

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.