UCSF

ZINC59817725

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 23 No

Popular Name: 5-allyl-6-[(4-fluorobenzyl)sulfanyl]-3-methylisoxazolo[5,4-d]pyrimidin-4(5H)-imine 5-allyl-6-[(4-fluorobenzyl)sulfa…

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Other Names:

MFCD09758184

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) -0.40 8.12 -35.41 2 5 1 69 331.396 5 ↓
Mid Mid (pH 6-8) 2.08 8.09 -9.99 1 5 0 68 330.388 5 ↓

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

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