UCSF

ZINC41167501

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 11 Yes

Popular Name: N-butyl-N,N',N'-trimethyl-ethane-1,2-diamine N-butyl-N,N',N'-trimethyl-ethane…

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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) 1.81 4.45 -32.18 1 2 1 8 159.297 6 ↓
Mid Mid (pH 6-8) 1.81 4.62 -32.1 1 2 1 8 159.297 6 ↓
Mid Mid (pH 6-8) 1.81 6.93 -101.92 2 2 2 9 160.305 6 ↓

Activity (Go SEA)

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