UCSF

ZINC01383106

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 21 No

Popular Name: 2-methyl-3-[2-oxo-2-(2-thienyl)ethyl]naphthoquinone 2-methyl-3-[2-oxo-2-(2-thienyl)e…

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CAS Number: 130836-94-1

Other Names:

MFCD00243895

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) 3.20 1.45 -11.75 0 3 0 51 296.347 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 122 - 124 KeyOrganics

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Rings

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

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