UCSF

ZINC38860371

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2010 15 Yes

Popular Name: N*1*,N*1*-Diethyl-1-p-tolyl-ethane-1,2-diamine N*1*,N*1*-Diethyl-1-p-tolyl-etha…

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CAS Numbers: 919032-99-8 , N/A

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) 1.93 5.92 -120.47 4 2 2 32 208.349 5 ↓
Mid Mid (pH 6-8) 1.93 5.62 -28.65 3 2 1 30 207.341 5 ↓
Mid Mid (pH 6-8) 1.93 4.65 -44.87 3 2 1 31 207.341 5 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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