UCSF

ZINC09241673

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 38 No

Popular Name: 5-(3,4-dimethoxyphenyl)-4-[hydroxy-(8-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl)-methy 5-(3,4-dimethoxyphenyl)-4-[hydro…

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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) 2.00 7.86 -62.29 0 10 -1 109 519.578 9 ↓
Mid Mid (pH 6-8) 2.44 10 -49.54 2 10 1 107 521.594 8 ↓
Mid Mid (pH 6-8) 2.44 10.42 -100.29 3 10 2 108 522.602 8 ↓
Mid Mid (pH 6-8) 1.41 -0.45 -60.2 1 10 1 103 521.594 9 ↓
Mid Mid (pH 6-8) 1.41 -0.29 -91.01 2 10 2 105 522.602 9 ↓
Mid Mid (pH 6-8) 2.00 10.19 -78.15 1 10 0 110 520.586 9 ↓

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