UCSF

ZINC57218726

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2011 14 Yes

Popular Name: [3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine hydrochloride [3-(4-fluorophenyl)-1H-1,2,4-tri…

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CAS Numbers: 1258640-50-4 , 944905-95-7

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) 0.96 2.51 -44.27 4 4 1 69 193.205 2 ↓
Mid Mid (pH 6-8) 0.96 2.38 -39.45 3 4 0 68 192.197 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 294 - 296 Enamine Building Blocks
MP 294...296 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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