UCSF

ZINC62847097

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2011 21 Yes

Popular Name: 1-[2-[(2S)-1-methyl-2-piperidyl]ethyl]-4-propyl-piperidine-4-carboxylic 1-[2-[(2S)-1-methyl-2-piperidyl]…

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) 2.69 11.02 -89.74 2 4 1 49 297.463 6 ↓
Mid Mid (pH 6-8) 2.69 8.71 -42 1 4 0 48 296.455 6 ↓

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Rings

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

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