UCSF

ZINC67172911

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2011 16 Yes

Popular Name: 1-{3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl}piperazine 1-{3-methyl-[1,2,4]triazolo[4,3-…

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CAS Number: 305865-38-7

Download: MOL2 SDF SMILES Flexibase

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) -0.53 5.26 -47.09 2 6 1 63 219.272 1 ↓
Hi High (pH 8-9.5) -0.53 3.97 -10.29 1 6 0 58 218.264 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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