UCSF

ZINC09065140

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 37 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) 1.80 11.33 -68.03 0 10 -1 114 500.535 9 ↓
Mid Mid (pH 6-8) 1.22 13.07 -83.63 2 10 2 111 503.559 9 ↓
Mid Mid (pH 6-8) 1.80 11.81 -76.94 1 10 0 115 501.543 9 ↓
Mid Mid (pH 6-8) 2.25 11.77 -19.13 1 10 0 111 501.543 8 ↓
Mid Mid (pH 6-8) 1.22 12.13 -26.38 0 10 0 108 501.543 9 ↓
Mid Mid (pH 6-8) 2.25 12.18 -52.65 2 10 1 112 502.551 8 ↓
Mid Mid (pH 6-8) 1.22 12.56 -46.12 1 10 1 109 502.551 9 ↓
Mid Mid (pH 6-8) 2.25 12.28 -44.32 2 10 1 112 502.551 8 ↓
Mid Mid (pH 6-8) 1.22 12.65 -54.09 1 10 1 109 502.551 9 ↓
Mid Mid (pH 6-8) 2.25 12.7 -91.44 3 10 2 114 503.559 8 ↓
Lo Low (pH 4.5-6) 1.80 11.14 -49.25 2 10 1 112 502.551 9 ↓

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