UCSF

ZINC41585829

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 38 No

Popular Name: (2E)-6-hydroxy-4-methyl-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]-2-[(3,4,5-trimethoxyphenyl)methylene (2E)-6-hydroxy-4-methyl-7-[[4-(2…

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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) 3.63 8.75 -41.99 2 9 1 99 518.59 7 ↓
Hi High (pH 8-9.5) 3.63 9.16 -47 0 9 -1 100 516.574 7 ↓
Mid Mid (pH 6-8) 3.63 9.51 -56.97 1 9 0 102 517.582 7 ↓
Mid Mid (pH 6-8) 3.63 8.4 -15.01 1 9 0 98 517.582 7 ↓
Mid Mid (pH 6-8) 3.63 10.62 -54.6 2 9 1 99 518.59 7 ↓
Lo Low (pH 4.5-6) 3.63 10.97 -113.85 3 9 2 100 519.598 7 ↓

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