UCSF

ZINC12855950

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 33 Yes

Popular Name: 1-[4-(tert-butyl)benzoyl]-4-(2-{[4-(tert-butyl)benzoyl]amino}ethyl)hexahydropyrazin-4-ium chloride 1-[4-(tert-butyl)benzoyl]-4-(2-{…

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CAS Number: 1033846-80-8

Other Names:

MFCD06795598

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) 5.03 10.6 -14.71 1 5 0 53 449.639 7 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 238 - 240 KeyOrganics

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