UCSF

ZINC70189696

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2011 19 Yes

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

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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) 2.55 9.48 -162.4 4 3 3 25 270.485 6 ↓
Mid Mid (pH 6-8) 2.55 7.16 -90.98 3 3 2 24 269.477 6 ↓
Mid Mid (pH 6-8) 2.55 7.23 -77.28 3 3 2 24 269.477 6 ↓

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Rings

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

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