UCSF

ZINC19312433

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2008 14 Yes

Popular Name: 1,4-Bis(2-cyanoethyl)piperazine 1,4-Bis(2-cyanoethyl)piperazine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 11/9/4159 12:00:00 AM , 4159-11-9

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) -0.85 2.26 -11.14 0 4 0 54 192.266 4 ↓
Mid Mid (pH 6-8) -0.85 4.54 -56.81 1 4 1 55 193.274 4 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 63-66? Alfa-Aesar
Melting_Point 63-66° Alfa-Aesar

Activity (Go SEA)

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