UCSF

ZINC02518190

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 Yes

Popular Name: 5-(3-Bromophenyl)cyclohexane-1,3-dione 5-(3-Bromophenyl)cyclohexane-1,3…

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CAS Numbers: 144128-71-2 , [144128-71-2]

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) 2.92 6.92 -40.69 0 2 -1 40 266.114 1 ↓
Mid Mid (pH 6-8) 2.92 7.07 -40.9 0 2 -1 40 266.114 1 ↓
Mid Mid (pH 6-8) 2.18 7.12 -9.48 0 2 0 34 267.122 1 ↓
Mid Mid (pH 6-8) 2.92 5.21 -9.4 1 2 0 37 267.122 1 ↓
Mid Mid (pH 6-8) 2.92 5.2 -9.39 1 2 0 37 267.122 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem

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