UCSF

ZINC18154451

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 15 No

Popular Name: 5-(4-METHYLPHENYL)CYCLOHEXANE-1,3-DIONE 5-(4-METHYLPHENYL)CYCLOHEXANE-1,…

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CAS Numbers: 61888-37-7 , [61888-37-7]

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) 2.59 6.97 -41.56 0 2 -1 40 201.245 1 ↓
Ref Reference (pH 7) 2.59 6.97 -41.58 0 2 -1 40 201.245 1 ↓
Mid Mid (pH 6-8) 2.59 5.26 -9.06 1 2 0 37 202.253 1 ↓
Mid Mid (pH 6-8) 2.59 5.25 -9.07 1 2 0 37 202.253 1 ↓
Mid Mid (pH 6-8) 1.84 7.17 -9.82 0 2 0 34 202.253 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem

Activity (Go SEA)

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