UCSF

ZINC05095411

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 30 No

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

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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) 2.40 3.96 -12.33 3 8 0 119 403.442 6 ↓
Lo Low (pH 4.5-6) 2.40 3.87 -38.16 4 8 1 120 404.45 6 ↓
Lo Low (pH 4.5-6) 2.40 3.65 -53.2 4 8 1 121 404.45 6 ↓
Lo Low (pH 4.5-6) 2.40 4.41 -37.77 4 8 1 120 404.45 6 ↓

Activity (Go SEA)

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