UCSF

ZINC05343838

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 26 Yes

Popular Name: 2-(4-fluorophenyl)-3-(2-hydroxyethyl)-8-(2-hydroxyphenyl)-3,6,7-triazabicyclo[3.3.0]octa-7,9-dien-4- 2-(4-fluorophenyl)-3-(2-hydroxye…

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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) 2.27 3.54 -12.15 3 6 0 89 353.353 4 ↓
Hi High (pH 8-9.5) 2.25 3.32 -61.11 1 6 -1 88 352.345 4 ↓
Hi High (pH 8-9.5) 2.25 3.91 -54.73 1 6 -1 88 352.345 4 ↓
Hi High (pH 8-9.5) 2.27 4.36 -44.37 2 6 -1 92 352.345 4 ↓
Mid Mid (pH 6-8) 2.28 4.32 -51.83 2 6 -1 92 352.345 4 ↓

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