UCSF

ZINC70188198

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2011 18 Yes

Popular Name: 2-[1-[2-[(2S)-1-methyl-2-piperidyl]ethyl]-4-piperidyl]ethanamine 2-[1-[2-[(2S)-1-methyl-2-piperid…

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) 1.57 7.6 -165.86 5 3 3 37 256.458 5 ↓
Mid Mid (pH 6-8) 1.57 5.29 -94.9 4 3 2 35 255.45 5 ↓
Mid Mid (pH 6-8) 1.57 5.35 -81.63 4 3 2 35 255.45 5 ↓

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Rings

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

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