UCSF

ZINC19371848

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 19 Yes

Popular Name: 1-(1-Benzyl-piperidin-4-yl)-piperazine 1-(1-Benzyl-piperidin-4-yl)-pipe…

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CAS Numbers: , 1185003-26-2 , 180532-65-4 , 926904-42-9

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) 1.46 6.61 -88.68 3 3 2 24 261.413 3 ↓
Hi High (pH 8-9.5) 1.46 5.2 -37.02 2 3 1 20 260.405 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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