UCSF

ZINC26494192

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 23 No

Popular Name: [[(2S,5S)-5-(4-amino-2-oxo-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxycarbonylamino]methylphosphonic [[(2S,5S)-5-(4-amino-2-oxo-pyrim…

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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) -1.86 -4.05 -60.47 4 11 -1 169 365.284 6 ↓
Mid Mid (pH 6-8) -1.86 -2.89 -141.81 3 11 -2 172 364.276 6 ↓
Mid Mid (pH 6-8) -1.86 -3.75 -56.24 4 11 -1 169 365.284 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z81020-1-O HepG2 (Hepatoblastoma Cells) (cluster #1 Of 8), Other Other 5000 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81020 Z81020 HepG2 (Hepatoblastoma Cells) 5000 0.32 Functional ≤ 10μM

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