UCSF

ZINC04171006

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 29 No

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

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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) 1.63 3.53 -13.28 3 8 0 119 389.415 5 ↓
Lo Low (pH 4.5-6) 1.63 3.15 -57.37 4 8 1 121 390.423 5 ↓
Lo Low (pH 4.5-6) 1.63 3.32 -40.01 4 8 1 120 390.423 5 ↓
Lo Low (pH 4.5-6) 1.63 3.99 -39.85 4 8 1 120 390.423 5 ↓

Activity (Go SEA)

Rings

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