UCSF

ZINC01385392

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 23 Yes

Popular Name: ethyl 7-(4-chlorophenyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxylate ethyl 7-(4-chlorophenyl)-2,4-dim…

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CAS Number: 338406-13-6

Other Names:

MFCD00171797

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) 4.30 2.94 -16.8 0 4 0 43 328.799 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 161 - 164 KeyOrganics

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Rings

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

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