UCSF

ZINC42462321

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 Yes

Popular Name: 1-tert-butyl-4-[2-[(2R)-2-piperidyl]ethyl]piperazine 1-tert-butyl-4-[2-[(2R)-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) 2.37 6.1 -84.05 3 3 2 24 255.45 4 ↓
Hi High (pH 8-9.5) 2.37 3.96 -35.48 2 3 1 23 254.442 4 ↓
Lo Low (pH 4.5-6) 2.37 6.21 -107.03 3 3 2 24 255.45 4 ↓

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