UCSF

ZINC59817709

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 24 No

Popular Name: 1-(4-chlorophenyl)-2-[(5-ethyl-4-imino-3-methyl-4,5-dihydroisoxazolo[5,4-d]pyrimidin-6-yl)sulfanyl]ethanone 1-(4-chlorophenyl)-2-[(5-ethyl-4…

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Other Names:

MFCD09758180

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) -0.60 7.84 -36.87 2 6 1 86 363.85 5 ↓
Mid Mid (pH 6-8) 1.88 7.69 -10.56 1 6 0 85 362.842 5 ↓

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

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