UCSF

ZINC69793373

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 16 Yes

Popular Name: 3,3-dimethyl-1-[2-[(2S)-2-piperidyl]ethyl]piperidine 3,3-dimethyl-1-[2-[(2S)-2-piperi…

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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) 2.86 8.23 -105.69 3 2 2 21 226.408 3 ↓
Hi High (pH 8-9.5) 2.86 6.96 -32.65 2 2 1 16 225.4 3 ↓
Hi High (pH 8-9.5) 2.86 6.37 -34.94 2 2 1 20 225.4 3 ↓

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Rings

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

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