UCSF

ZINC65531264

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-6-nitro-2-(4-nitrophenyl)-3,4-dihydrospiro(2H-[1,4]benzoxazine-3,4'-[2,5]cyclohexadiene)-1'-one 2',6'-ditert-butyl-6-nitro-2-(4-…

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD01068664

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) 3.15 8.84 -48.34 4 5 1 74 327.452 6 ↓
Hi High (pH 8-9.5) 3.61 6.89 -63 3 5 0 77 326.444 6 ↓

Activity (Go SEA)

Rings

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

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