UCSF

ZINC08837683

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 33 No

Popular Name: 5-(4-bromophenyl)-1-(2-diethylaminoethyl)-4-[hydroxy-(8-methyl-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-t 5-(4-bromophenyl)-1-(2-diethylam…

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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) 4.24 11.94 -50.57 2 7 1 79 512.428 7 ↓
Mid Mid (pH 6-8) 3.21 12.69 -51.18 1 7 1 76 512.428 8 ↓
Mid Mid (pH 6-8) 4.24 12.11 -96.68 3 7 2 81 513.436 7 ↓
Mid Mid (pH 6-8) 3.21 13.11 -82.83 2 7 2 77 513.436 8 ↓

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