UCSF

ZINC13556356

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 18 Yes

Popular Name: 4-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline 4-(3-phenyl-1H-1,2,4-triazol-5-y…

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CAS Number: 29214-50-4

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) 2.70 6.09 -9.44 3 4 0 68 236.278 2 ↓
Ref Reference (pH 7) 2.70 6.09 -9.26 3 4 0 68 236.278 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 244 - 246 Enamine Building Blocks
MP 244...246 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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