UCSF

ZINC36152387

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 26 No

Popular Name: [[[(1S,2Z)-2-[(6-aminopurin-9-yl)methylene]cyclopropyl]methoxy-hydroxy-phosphoryl]-hydroxy-phosphory [[[(1S,2Z)-2-[(6-aminopurin-9-yl…

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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) -2.40 1.45 -242.12 3 13 -3 219 422.147 6 ↓
Mid Mid (pH 6-8) -2.40 2.55 -403.9 2 13 -4 222 421.139 6 ↓

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 320 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 320 0.35 Binding ≤ 1μM
Q72547_9HIV1 Q72547 Human Immunodeficiency Virus Type 1 Reverse Transcriptase, 9hiv1 1700 0.31 Binding ≤ 10μM

Rings

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