UCSF

ZINC01393863

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 25 No

Popular Name: 3,3-bis(2,4-dichlorobenzyl)-2,4-pentanedione 3,3-bis(2,4-dichlorobenzyl)-2,4-…

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CAS Number: 672951-54-1

Other Names:

MFCD01814855

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) 5.65 12.96 -11.2 0 2 0 34 418.147 6 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 115 - 117 KeyOrganics

Activity (Go SEA)

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