UCSF

ZINC55061001

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 25 Yes

Popular Name: 3-[[ethyl-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]chromen-4-one 3-[[ethyl-[(5-isobutyl-1,2,4-oxa…

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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) 2.72 7.88 -41.59 1 6 1 74 342.419 7 ↓
Mid Mid (pH 6-8) 2.72 5.78 -13.96 0 6 0 72 341.411 7 ↓

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

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