UCSF

ZINC35636697

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 26 No

Popular Name: 1,4-Naphthalenedione, 2-chloro-3-[trans-4-(4-chlorophenyl)cyclohexyl] 1,4-Naphthalenedione, 2-chloro-3…

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CAS Number: 15397-22-1

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) 5.86 12.85 -6.61 0 2 0 34 385.29 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5206268; US5225184; US5310762; US5466711; US5559156; US5561164; US5567738; US6166046 IBM Patent Data

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Rings

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

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