UCSF

ZINC41585828

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 No

Popular Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylene]-6-hydroxy-4-methyl-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]be (2Z)-2-[(3,4-dimethoxyphenyl)met…

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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) 3.64 9.23 -40.94 2 8 1 90 488.564 6 ↓
Hi High (pH 8-9.5) 3.64 9.48 -44.73 0 8 -1 91 486.548 6 ↓
Mid Mid (pH 6-8) 3.64 9.82 -51.64 1 8 0 92 487.556 6 ↓
Mid Mid (pH 6-8) 3.64 8.89 -13.95 1 8 0 88 487.556 6 ↓
Mid Mid (pH 6-8) 3.64 11.16 -53.17 2 8 1 89 488.564 6 ↓
Lo Low (pH 4.5-6) 3.64 11.49 -114.7 3 8 2 91 489.572 6 ↓

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