UCSF

ZINC41514120

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 34 No

Popular Name: (2E)-2-[(1-ethylindol-3-yl)methylene]-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-methy (2E)-2-[(1-ethylindol-3-yl)methy…

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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) 3.16 7.77 -41.89 3 7 1 83 462.57 6 ↓
Hi High (pH 8-9.5) 3.16 6.07 -48.98 1 7 -1 85 460.554 6 ↓
Mid Mid (pH 6-8) 3.16 5.5 -11.66 2 7 0 82 461.562 6 ↓
Mid Mid (pH 6-8) 3.16 8.35 -31.27 2 7 0 86 461.562 6 ↓
Mid Mid (pH 6-8) 3.16 7.84 -41.67 3 7 1 83 462.57 6 ↓

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