UCSF

ZINC41514741

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 27 Yes

Popular Name: 3-benzyl-7-[[benzyl(methyl)amino]methyl]-1,2-benzoxazol-6-ol 3-benzyl-7-[[benzyl(methyl)amino…

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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) 5.02 11.35 -40.34 2 4 1 51 359.449 6 ↓
Hi High (pH 8-9.5) 5.02 9.56 -42.86 0 4 -1 52 357.433 6 ↓
Hi High (pH 8-9.5) 5.02 11.91 -22.78 1 4 0 54 358.441 6 ↓
Mid Mid (pH 6-8) 5.02 9 -11.55 1 4 0 49 358.441 6 ↓

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