UCSF

ZINC19438398

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 32 No

Popular Name: 4-[(2S,3S,5S,6R)-6-(4-hydroxy-3-methoxy-phenyl)-4,4-dimethyl-3,5-dinitro-2-piperidyl]-2-methoxy-phen 4-[(2S,3S,5S,6R)-6-(4-hydroxy-3-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.50 5.22 -16.57 3 11 0 163 447.444 6 ↓

Activity (Go SEA)

Rings

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

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