UCSF

ZINC41514746

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 29 Yes

Popular Name: 7-[[benzyl(methyl)amino]methyl]-3-(3,4,5-trifluorophenyl)-1,2-benzoxazol-6-ol 7-[[benzyl(methyl)amino]methyl]-…

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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) 4.84 10.64 -43.56 2 4 1 51 399.392 5 ↓
Hi High (pH 8-9.5) 4.84 8.84 -37.05 0 4 -1 52 397.376 5 ↓
Mid Mid (pH 6-8) 4.84 8.28 -9.22 1 4 0 49 398.384 5 ↓
Mid Mid (pH 6-8) 4.84 11.2 -21.69 1 4 0 54 398.384 5 ↓

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