UCSF

ZINC19850282

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 15 Yes

Popular Name: 1-(2-Cyanobenzyl)piperazine 1-(2-Cyanobenzyl)piperazine

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CAS Numbers: 1289388-18-6 , 174609-74-6

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) 0.74 3.71 -43.58 2 3 1 44 202.281 2 ↓
Hi High (pH 8-9.5) 0.74 2.3 -6.57 1 3 0 39 201.273 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem

Activity (Go SEA)

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