UCSF

ZINC04565651

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Substance Information

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

Popular Name: 4-amino-2-(4-butoxyphenyl)-9-phenyl-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,8,10-triene-3-carbonitrile 4-amino-2-(4-butoxyphenyl)-9-phe…

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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) 4.39 6.96 -9.34 3 6 0 97 386.455 6 ↓
Lo Low (pH 4.5-6) 4.39 6.71 -47.64 4 6 1 99 387.463 6 ↓

Activity (Go SEA)

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