UCSF

ZINC42367709

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 14 Yes

Popular Name: N,N'-diethyl-N-hexyl-ethane-1,2-diamine N,N'-diethyl-N-hexyl-ethane-1,2-…

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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) 2.98 8 -107.96 3 2 2 21 202.386 10 ↓
Hi High (pH 8-9.5) 2.98 6.64 -31.5 2 2 1 16 201.378 10 ↓
Mid Mid (pH 6-8) 2.98 5.88 -34.97 2 2 1 20 201.378 10 ↓

Activity (Go SEA)

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