UCSF

ZINC43966074

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 19 Yes

Popular Name: (1R,2R,4R)-N1,4-diethyl-N2-methyl-N2-[[(2S)-tetrahydrofuran-2-yl]methyl]cyclohexane-1,2-diamine (1R,2R,4R)-N1,4-diethyl-N2-methy…

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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) 2.96 5.9 -31.04 2 3 1 29 269.453 6 ↓
Hi High (pH 8-9.5) 2.96 6.88 -28.74 2 3 1 26 269.453 6 ↓

Activity (Go SEA)

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