UCSF

ZINC04736954

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 31 Yes

Popular Name: 5-(3-ethoxy-4-methoxy-phenyl)-3-methyl-N-(o-tolyl)-2,6,7,9-tetrazabicyclo[4.3.0]nona-3,7,9-triene-4- 5-(3-ethoxy-4-methoxy-phenyl)-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) 3.25 12.24 -14.57 2 8 0 90 419.485 6 ↓
Mid Mid (pH 6-8) 3.43 12.76 -56.08 3 8 1 95 420.493 6 ↓

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