UCSF

ZINC04156743

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 35 Yes

Popular Name: [4-[7-(1,1,3,3-tetramethylbutylamino)-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-8-yl]phenyl] [4-[7-(1,1,3,3-tetramethylbutyla…

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Vendors

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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) 7.64 16.46 -31.25 2 6 1 66 472.609 9 ↓
Mid Mid (pH 6-8) 7.64 15.94 -35.57 2 6 1 69 472.609 9 ↓
Mid Mid (pH 6-8) 7.64 15.99 -15.47 1 6 0 65 471.601 9 ↓
Mid Mid (pH 6-8) 7.64 16.4 -93.63 3 6 2 71 473.617 9 ↓

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