UCSF

ZINC66139588

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 28 No

Popular Name: 1-[bis(4-nitrophenyl)methyl]-4-nitro-benzene 1-[bis(4-nitrophenyl)methyl]-4-n…

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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) 4.97 13.96 -21.65 0 9 0 137 379.328 6 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0239385A2; EP0239385B1; EP0345674A2; EP0374576A2; EP0446793A1; EP0446793B1; EP0509459B1; EP0741332A1; EP0741332B1; EP0747342A1; EP0747342B1; EP0878323A1; EP0989108A3; EP0989109A1; US4279986; US4533727; US4554346; US4800151; US5138003; US5194490; US53266 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.