UCSF

ZINC09409206

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 30 Yes

Popular Name: 8-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-(2-hydroxyphenyl)-7-(3-hydroxypropyl)-3,4,7-triazabicyclo[3 8-(3-bromo-4-hydroxy-5-methoxy-p…

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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) 2.69 1.68 -14.57 4 8 0 119 474.311 6 ↓
Hi High (pH 8-9.5) 2.49 0.89 -48.95 2 8 -1 118 473.303 6 ↓
Mid Mid (pH 6-8) 2.69 2.45 -52.63 3 8 -1 122 473.303 6 ↓

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