UCSF

ZINC69872628

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 23 Yes

Popular Name: (6S)-2-methyl-N-[[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5- (6S)-2-methyl-N-[[3-(3-pyridyl)-…

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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) 0.17 4.01 -63.69 2 8 1 99 312.357 4 ↓
Hi High (pH 8-9.5) 0.17 2.84 -14.57 1 8 0 95 311.349 4 ↓
Lo Low (pH 4.5-6) 0.17 4.46 -112.27 3 8 2 100 313.365 4 ↓

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

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