UCSF

ZINC08904326

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 38 No

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

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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) 2.13 6.99 -64.01 0 10 -1 109 519.578 8 ↓
Mid Mid (pH 6-8) 1.54 10.7 -92.45 2 10 2 105 522.602 8 ↓
Mid Mid (pH 6-8) 2.57 9.8 -49.88 2 10 1 107 521.594 7 ↓
Mid Mid (pH 6-8) 2.57 10.22 -100.8 3 10 2 108 522.602 7 ↓
Mid Mid (pH 6-8) 1.54 10.27 -61.33 1 10 1 104 521.594 8 ↓
Mid Mid (pH 6-8) 2.13 9.34 -73.58 1 10 0 110 520.586 8 ↓

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