UCSF

ZINC62953998

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 17 Yes

Popular Name: 4-ethyl-4-methyl-1-[2-[(2R)-2-piperidyl]ethyl]piperidine 4-ethyl-4-methyl-1-[2-[(2R)-2-pi…

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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) 3.19 8.52 -107.65 3 2 2 21 240.435 4 ↓
Hi High (pH 8-9.5) 3.19 7.41 -32.24 2 2 1 16 239.427 4 ↓
Mid Mid (pH 6-8) 3.19 6.29 -34.74 2 2 1 20 239.427 4 ↓

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

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