UCSF

ZINC41584356

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 27 Yes

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

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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) 3.59 5.06 -14.21 1 6 0 68 370.449 10 ↓
Hi High (pH 8-9.5) 3.59 5.72 -46.85 0 6 -1 71 369.441 10 ↓
Mid Mid (pH 6-8) 3.59 7.38 -38.95 2 6 1 69 371.457 10 ↓

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

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