UCSF

ZINC53929634

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 17 Yes

Popular Name: (2R)-2-[[(1-ethyl-4-piperidyl)-methyl-amino]methyl]cyclopentanone (2R)-2-[[(1-ethyl-4-piperidyl)-m…

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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) 1.59 6.83 -33.95 1 3 1 25 239.383 4 ↓
Mid Mid (pH 6-8) 1.59 8.93 -95.27 2 3 2 26 240.391 4 ↓
Mid Mid (pH 6-8) 1.59 6.68 -33.56 1 3 1 25 239.383 4 ↓

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Rings

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

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