UCSF

ZINC05051864

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2006 27 No

Popular Name: 4-amino-9-(4-ethoxyphenyl)-2-(3-pyridyl)-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,8,10-triene-3-carbonitr 4-amino-9-(4-ethoxyphenyl)-2-(3-…

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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) 2.09 3.58 -10.79 3 7 0 110 359.389 4 ↓
Lo Low (pH 4.5-6) 2.09 4 -54.03 4 7 1 111 360.397 4 ↓

Activity (Go SEA)

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