UCSF

ZINC41514726

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 28 Yes

Popular Name: 7-[[benzyl(methyl)amino]methyl]-3-[(2-fluorophenyl)methyl]-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) 5.14 11.04 -42.62 2 4 1 51 377.439 6 ↓
Hi High (pH 8-9.5) 5.14 9.47 -46.64 0 4 -1 52 375.423 6 ↓
Hi High (pH 8-9.5) 5.14 11.8 -25.76 1 4 0 54 376.431 6 ↓
Mid Mid (pH 6-8) 5.14 8.7 -13.72 1 4 0 49 376.431 6 ↓

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