UCSF

ZINC69807770

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 18 Yes

Popular Name: (3S,5S)-3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-methyl-tetrahydrofuran-2-one (3S,5S)-3-(3-ethyl-6,8-dihydro-5…

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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) -1.17 5.22 -13.11 0 6 0 60 250.302 2 ↓
Lo Low (pH 4.5-6) -1.17 7.4 -52.53 1 6 1 61 251.31 2 ↓

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

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