UCSF

ZINC70193048

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Substance Information

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

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

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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) 2.49 7.14 -85.14 3 3 2 24 269.477 6 ↓
Mid Mid (pH 6-8) 2.49 9.29 -181.97 4 3 3 25 270.485 6 ↓

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

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