UCSF

ZINC62954066

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 18 Yes

Popular Name: 4,4-diethyl-1-[2-[(2S)-2-piperidyl]ethyl]piperidine 4,4-diethyl-1-[2-[(2S)-2-piperid…

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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) 3.52 8.99 -108.69 3 2 2 21 254.462 5 ↓
Hi High (pH 8-9.5) 3.52 7.73 -34.86 2 2 1 16 253.454 5 ↓
Mid Mid (pH 6-8) 3.52 6.76 -34.62 2 2 1 20 253.454 5 ↓

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

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