UCSF

ZINC04291113

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 34 Yes

Popular Name: 5-(4-butoxy-3-methoxy-phenyl)-N-(2-methoxyphenyl)-3-methyl-2,6,7,8,9-pentazabicyclo[4.3.0]nona-3,7,9 5-(4-butoxy-3-methoxy-phenyl)-N-…

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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) 3.78 10.26 -15.48 2 10 0 112 464.526 9 ↓
Lo Low (pH 4.5-6) 3.96 10.4 -35.95 3 10 1 117 465.534 9 ↓

Activity (Go SEA)

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