UCSF

ZINC43981009

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Substance Information

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

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

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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) 2.29 5.99 -120.67 3 5 2 49 296.411 8 ↓
Hi High (pH 8-9.5) 2.29 4.16 -40.49 2 5 1 48 295.403 8 ↓
Hi High (pH 8-9.5) 2.29 3.26 -5.46 1 5 0 43 294.395 8 ↓
Mid Mid (pH 6-8) 2.29 4.88 -37.88 2 5 1 44 295.403 8 ↓

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