UCSF

ZINC41584354

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 29 Yes

Popular Name: 7-[[bis(2-methoxyethyl)amino]methyl]-3-[(2-methoxyphenyl)methyl]-1,2-benzoxazol-6-ol 7-[[bis(2-methoxyethyl)amino]met…

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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) 3.60 4.82 -13.59 1 7 0 77 400.475 11 ↓
Hi High (pH 8-9.5) 3.60 6.23 -43.99 0 7 -1 80 399.467 11 ↓
Mid Mid (pH 6-8) 3.60 6.74 -40.26 2 7 1 78 401.483 11 ↓

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

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