UCSF

ZINC43966784

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Substance Information

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

Popular Name: (1R)-N'-ethyl-1-(4-methoxyphenyl)-N-methyl-N'-[[(2R)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine (1R)-N'-ethyl-1-(4-methoxyphenyl…

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Vendors

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) 2.52 7.66 -115.46 3 4 2 40 294.439 8 ↓
Hi High (pH 8-9.5) 2.52 4.09 -4.3 1 4 0 34 292.423 8 ↓
Mid Mid (pH 6-8) 2.52 5.71 -44.55 2 4 1 38 293.431 8 ↓
Mid Mid (pH 6-8) 2.52 6.53 -33.48 2 4 1 35 293.431 8 ↓

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