UCSF

ZINC69562923

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 22 Yes

Popular Name: (3R,5S)-5-methyl-3-[(3R)-3-(4-methylpiperidine-1-carbonyl)-1-piperidyl]tetrahydrofuran-2-one (3R,5S)-5-methyl-3-[(3R)-3-(4-me…

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) 0.56 6.73 -16.25 0 5 0 50 308.422 2 ↓
Mid Mid (pH 6-8) 0.56 9.03 -48.25 1 5 1 51 309.43 2 ↓

Activity (Go SEA)

Rings

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

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