UCSF

ZINC41584351

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 28 Yes

Popular Name: 7-[[bis(2-methoxyethyl)amino]methyl]-3-[(2-fluorophenyl)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) 3.71 5.11 -17.53 1 6 0 68 388.439 10 ↓
Hi High (pH 8-9.5) 3.71 5.77 -48.85 0 6 -1 71 387.431 10 ↓
Mid Mid (pH 6-8) 3.71 7.43 -41.92 2 6 1 69 389.447 10 ↓

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

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