UCSF

ZINC13142741

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2008 28 No

Popular Name: (2R,3S,5S,6S)-4,4-dimethyl-3,5-dinitro-2,6-bis(p-tolyl)piperidine (2R,3S,5S,6S)-4,4-dimethyl-3,5-d…

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) 4.72 12.29 -9.08 1 7 0 104 383.448 4 ↓

Activity (Go SEA)

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