UCSF

ZINC13405709

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 25 No

Popular Name: 2,4-dinitro-N-[[(1S,5S)-5,8,8-trimethyl-4-bicyclo[3.2.1]octanylidene]amino]aniline 2,4-dinitro-N-[[(1S,5S)-5,8,8-tr…

Find On: PubMed — Wikipedia — Google

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) 6.03 10.78 -6.17 1 8 0 116 346.387 4 ↓

Vendor Notes

Note Type Comments Provided By
mp 232 - 233 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

Rings

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

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