UCSF

ZINC69489925

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 21 Yes

Popular Name: (3R)-3-[(3R)-3-(4-methylpiperidine-1-carbonyl)-1-piperidyl]tetrahydrofuran-2-one (3R)-3-[(3R)-3-(4-methylpiperidi…

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) 0.45 5.9 -17.1 0 5 0 50 294.395 2 ↓
Mid Mid (pH 6-8) 0.45 8.23 -41.59 1 5 1 51 295.403 2 ↓

Activity (Go SEA)

Rings

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

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