UCSF

ZINC65531215

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 24 Yes

Popular Name: 2,6-ditert-butyl-4-{[5-nitro-2-({4-nitrobenzyl}oxy)phenyl]imino}-2,5-cyclohexadien-1-one 2,6-ditert-butyl-4-{[5-nitro-2-(…

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Other Names:

MFCD01068656

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) 3.51 9 -38.38 2 5 1 63 326.42 5 ↓
Mid Mid (pH 6-8) 3.51 6.66 -12.02 1 5 0 62 325.412 5 ↓

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Rings

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

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