UCSF

ZINC05068014

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2006 25 No

Popular Name: 4-amino-9-(4-fluorophenyl)-2-(4-pyridyl)-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,6,9-triene-3-carbonitri 4-amino-9-(4-fluorophenyl)-2-(4-…

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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) 1.77 3.42 -10.22 3 6 0 101 333.326 2 ↓
Lo Low (pH 4.5-6) 1.77 3.25 -38.32 4 6 1 102 334.334 2 ↓
Lo Low (pH 4.5-6) 1.77 3.88 -37.59 4 6 1 102 334.334 2 ↓

Activity (Go SEA)

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