UCSF

ZINC13642565

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) -3.16 4.18 -370.55 3 16 -4 261 483.163 8
Mid Mid (pH 6-8) -3.16 3.02 -235.2 4 16 -3 258 484.171 8

Vendor Notes

Note Type Comments Provided By
Reactome Database Links REACT_120894 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q72547-1-V Human Immunodeficiency Virus Type 1 Reverse Transcriptase (cluster #1 Of 6), Viral Viruses 37 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q72547_9HIV1 Q72547 Human Immunodeficiency Virus Type 1 Reverse Transcriptase, 9hiv1 37 0.35 Binding ≤ 1μM
Q72547_9HIV1 Q72547 Human Immunodeficiency Virus Type 1 Reverse Transcriptase, 9hiv1 37 0.35 Binding ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description Species
Abacavir metabolism

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