UCSF

ZINC04262049

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) 4.74 10.35 -57.4 2 8 -1 117 467.542 12

Vendor Notes

Note Type Comments Provided By
MP 124 TCI
MP 130-135 °C (dec.) Indofine
Melting_Point 130-135? Alfa-Aesar
Melting_Point 130-135° Alfa-Aesar
Mp [°C] 130.1 - 131.4 Acros Organics
Purity 98% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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 28 0.31 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 28 0.31 Binding ≤ 1μM
Q72874_9HIV1 Q72874 Human Immunodeficiency Virus Type 1 Protease, 9hiv1 28 0.31 Binding ≤ 10μM

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