UCSF

ZINC01383107

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 22 No

Popular Name: 2-[2-(3-bromo-2-thienyl)-2-oxoethyl]-3-methylnaphthoquinone 2-[2-(3-bromo-2-thienyl)-2-oxoet…

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CAS Number: 303148-58-5

Other Names:

MFCD00243896

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) 3.94 0.73 -13.34 0 3 0 51 375.243 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 195 - 198 KeyOrganics

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Rings

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

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