UCSF

ZINC05924888

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 15 Yes

Popular Name: 1-Carbethoxy-4-sec-butylpiperazine; 1-Piperazinecarboxylic acid, 4-sec-butyl-, ethyl ester; BRN 0154397; LS-110842 1-Carbethoxy-4-sec-butylpiperazi…

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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) 1.89 6.02 -38.36 1 4 1 34 215.317 4 ↓
Mid Mid (pH 6-8) 1.89 4.2 -5.31 0 4 0 33 214.309 4 ↓

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