UCSF

ZINC41585872

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 No

Popular Name: (2Z)-6-hydroxy-2-(p-tolylmethylene)-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]benzofuran-3-one (2Z)-6-hydroxy-2-(p-tolylmethyle…

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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) 4.07 9.75 -34.56 2 6 1 71 428.512 4 ↓
Hi High (pH 8-9.5) 4.07 10.17 -43.73 0 6 -1 73 426.496 4 ↓
Mid Mid (pH 6-8) 4.07 11.95 -105.52 3 6 2 72 429.52 4 ↓
Mid Mid (pH 6-8) 4.07 9.41 -10.04 1 6 0 70 427.504 4 ↓
Lo Low (pH 4.5-6) 4.07 11.61 -47.35 2 6 1 71 428.512 4 ↓

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