UCSF

ZINC03104955

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 22 No

Popular Name: [3,5-bis(dimethylamino)-1H-1,2,4-triazol-1-yl](4-nitrophenyl)methanone [3,5-bis(dimethylamino)-1H-1,2,4…

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CAS Number: 478031-99-1

Other Names:

MFCD00794177

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) 1.74 1.44 -8.43 0 9 0 100 304.31 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 156 - 158 KeyOrganics

Activity (Go SEA)

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