UCSF

ZINC13588931

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 27 No

Popular Name: Lamivudine-triphosphate Lamivudine-triphosphate

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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) -3.77 -0.75 -361.17 2 15 -4 241 465.166 8 ↓
Mid Mid (pH 6-8) -3.77 -1.91 -224.76 3 15 -3 238 466.174 8 ↓

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 188 0.35 Binding ≤ 10μM
Z50606-1-O Hepatitis B Virus (cluster #1 Of 3), Other Other 8 0.42 Functional ≤ 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 188 0.35 Binding ≤ 1μM
Q72547_9HIV1 Q72547 Human Immunodeficiency Virus Type 1 Reverse Transcriptase, 9hiv1 188 0.35 Binding ≤ 10μM
Z50606 Z50606 Hepatitis B Virus 7.5 0.42 Functional ≤ 10μM

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

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