UCSF

ZINC77032026

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2012 11 No

Popular Name: 1-(2-Chloro-5-methylpyrimidin-4-yl)ethanone 1-(2-Chloro-5-methylpyrimidin-4-…

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CAS Numbers: 1416351-95-5 , N/A

Other Names:

MFCD22421585

NA

QB-9400

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) 1.58 3.67 -4.96 0 3 0 43 170.599 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.