UCSF

ZINC65532202

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 37 Yes

Popular Name: 4-isobutyl-1-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-N-[(1S)-1-methylpropyl]-5-oxo-[1,2,4]triazolo 4-isobutyl-1-[2-(4-methylanilino…

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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) 4.55 14.46 -19.4 2 9 0 110 520.659 9 ↓

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

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