UCSF

ZINC08574858

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2006 26 Yes

Popular Name: 2-(2-fluorophenyl)-3-(2-hydroxyethyl)-8-(2-hydroxyphenyl)-3,6,7-triazabicyclo[3.3.0]octa-5,8-dien-4- 2-(2-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) 2.23 3.42 -10.34 3 6 0 89 353.353 4 ↓
Hi High (pH 8-9.5) 2.21 3.96 -59.17 1 6 -1 88 352.345 4 ↓
Hi High (pH 8-9.5) 2.21 3.57 -54.51 1 6 -1 88 352.345 4 ↓
Hi High (pH 8-9.5) 2.23 4.34 -42.6 2 6 -1 92 352.345 4 ↓
Mid Mid (pH 6-8) 2.23 4.19 -50.46 2 6 -1 92 352.345 4 ↓

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