UCSF

ZINC39762213

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 30 No

Popular Name: 2-[[4-isobutyl-5-(morpholinomethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methyl-3-nitro-phenyl)ethanone 2-[[4-isobutyl-5-(morpholinometh…

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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) 2.74 9.67 -16.75 0 9 0 106 433.534 9 ↓
Lo Low (pH 4.5-6) 2.74 12.03 -55.06 1 9 1 107 434.542 9 ↓

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