UCSF

ZINC19502505

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 11 Yes

Popular Name: 1-(2-CYANOETHYL)-4-METHYLPIPERAZINE 1-(2-CYANOETHYL)-4-METHYLPIPERAZINE

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CAS Number: 4491-92-3

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) -0.31 3.35 -41.82 1 3 1 31 154.237 2 ↓
Mid Mid (pH 6-8) -0.31 0.87 -6.35 0 3 0 30 153.229 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 134-136?/13mm Alfa-Aesar
Boiling_Point 134-136°/13mm Alfa-Aesar
BP 142°/18mm Oakwood Chemical

Activity (Go SEA)

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