UCSF

ZINC23363463

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 17 Yes

Popular Name: (s)-1-benzyl-3-isobutylpiperazine (s)-1-benzyl-3-isobutylpiperazine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 444829-03-9 , 444892-03-9 , 928025-43-8 , [444892-03-9]

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) 3.03 6.36 -36.79 2 2 1 20 233.379 4 ↓
Hi High (pH 8-9.5) 3.03 5.28 -1.78 1 2 0 15 232.371 4 ↓
Mid Mid (pH 6-8) 3.03 8.63 -118.58 3 2 2 21 234.387 4 ↓

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