UCSF

ZINC65530138

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 20 Yes

Popular Name: ethyl {3-[4-(dimethylamino)-6-(methylsulfanyl)-1,3,5-triazin-2-yl]-2-imino-5-oxo-1-imidazolidinyl}acetate ethyl {3-[4-(dimethylamino)-6-(m…

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Other Names:

MFCD00391306

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 5.48 -44.71 2 5 1 54 282.408 3 ↓
Hi High (pH 8-9.5) 0.40 3.06 -12.42 1 5 0 53 281.4 3 ↓

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

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