UCSF

ZINC01399792

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 16 Yes

Popular Name: 1-[1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]-1-ethanone 1-[1-(3,4-dichlorophenyl)-1H-1,2…

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CAS Number: 866135-79-7

Other Names:

MFCD05256313

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) 2.76 2.1 -8 0 4 0 47 256.092 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 179 - 180 KeyOrganics

Activity (Go SEA)

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