UCSF

ZINC59817700

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 28 No

Popular Name: N-benzyl-N'-{[(5-ethyl-4-imino-3-methyl-4,5-dihydroisoxazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetyl}urea N-benzyl-N'-{[(5-ethyl-4-imino-3…

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Other Names:

MFCD09758177

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) -2.27 6.04 -44.62 4 9 1 127 401.472 6 ↓
Mid Mid (pH 6-8) 0.21 5.89 -19.3 3 9 0 126 400.464 6 ↓

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

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