UCSF

ZINC36152244

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 33 No

Popular Name: [(2S,3R,5R)-3-azido-5-[(5R)-5-methyl-6-methylene-2,4-dioxo-hexahydropyrimidin-1-yl]tetrahydrofuran-2 [(2S,3R,5R)-3-azido-5-[(5R)-5-me…

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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) -2.23 -5.84 -492.72 0 18 -5 286 530.196 10 ↓
Mid Mid (pH 6-8) -1.31 -2.64 -384.18 1 18 -4 280 531.204 10 ↓
Lo Low (pH 4.5-6) -1.31 -3.8 -245.76 2 18 -3 277 532.212 10 ↓

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 4600 0.23 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 4600 0.23 Binding ≤ 10μM

Rings

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