UCSF

ZINC04381252

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2005 30 No

Popular Name: 8-(4-ethylsulfonyloxyphenyl)-N-(1,1,3,3-tetramethylbutyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetrae 8-(4-ethylsulfonyloxyphenyl)-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) 5.54 11.33 -38 2 6 1 74 430.594 8 ↓
Mid Mid (pH 6-8) 5.54 11.19 -45.98 2 6 1 77 430.594 8 ↓
Mid Mid (pH 6-8) 5.54 10.98 -15.31 1 6 0 73 429.586 8 ↓
Mid Mid (pH 6-8) 5.54 11.43 -102.97 3 6 2 79 431.602 8 ↓

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