UCSF

ZINC43966029

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 20 Yes

Popular Name: (1R,2S)-N1-ethyl-N2-methyl-1-phenyl-N2-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,2-diamine (1R,2S)-N1-ethyl-N2-methyl-1-phe…

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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) 2.79 8.19 -30.6 2 3 1 29 277.432 7 ↓
Hi High (pH 8-9.5) 2.79 4.2 -2.94 1 3 0 24 276.424 7 ↓
Mid Mid (pH 6-8) 2.79 6.71 -29.93 2 3 1 26 277.432 7 ↓

Activity (Go SEA)

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