UCSF

ZINC27526851

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2009 10 Yes

Popular Name: 2,4(1H,3H)-Pyrimidinedione, 6-ethenyl- (9CI) 2,4(1H,3H)-Pyrimidinedione, 6-et…

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CAS Number: 36803-40-4

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) 0.23 -1.99 -18.16 2 4 0 66 138.126 1 ↓
Hi High (pH 8-9.5) 0.69 -2.84 -40.12 1 4 -1 69 137.118 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80193-9-O L1210 (Lymphocytic Leukemia Cells) (cluster #9 Of 12), Other Other 3000 0.77 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80193 Z80193 L1210 (Lymphocytic Leukemia Cells) 3000 0.77 Functional ≤ 10μM

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

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