UCSF

ZINC11585582

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2008 8 Yes

Popular Name: [(5-Methyl-1,3,4-oxadiazol-2-yl)methyl]amine [(5-Methyl-1,3,4-oxadiazol-2-yl)…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1172088-56-0 , 1187931-57-2 , 125295-22-9 , 612511-96-3 , [125295-22-9] , [612511-96-3]

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) -1.84 -4.63 -49.18 3 4 1 67 114.128 1 ↓
Hi High (pH 8-9.5) 2.46 3.7 -4.27 0 1 0 13 147.63 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 176 - 178 Enamine Building Blocks
MP 176...178 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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