UCSF

ZINC48953816

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Substance Information

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

Popular Name: (1R)-1-(1,3-benzodioxol-5-yl)-N'-ethyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine (1R)-1-(1,3-benzodioxol-5-yl)-N'…

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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) 0.10 3.59 -49.32 3 5 1 59 293.387 6 ↓
Hi High (pH 8-9.5) 0.10 2.96 -6.08 2 5 0 57 292.379 6 ↓
Mid Mid (pH 6-8) 0.10 5.49 -136.59 4 5 2 60 294.395 6 ↓

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

No pre-computed analogs available. Try a structural similarity search.