UCSF

ZINC15021267

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 14 Yes

Popular Name: 4,5-Dichloro-N1-isobutylbenzene-1,2-diamine hydrochloride 4,5-Dichloro-N1-isobutylbenzene-…

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CAS Numbers: 957035-41-5 , [957035-41-5]

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) 3.61 4.7 -3.43 3 2 0 38 233.142 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

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