UCSF

ZINC20103115

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 16 Yes

Popular Name: 5-Amino-2-(4-methylpiperazin-1-yl)benzonitrile 5-Amino-2-(4-methylpiperazin-1-y…

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 288251-82-1 , [288251-82-1]

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) 0.69 4.39 -40.9 3 4 1 57 217.296 1 ↓
Mid Mid (pH 6-8) 0.69 1.92 -7.95 2 4 0 56 216.288 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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