UCSF

ZINC41514088

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 33 No

Popular Name: (2Z)-2-[(4-tert-butylphenyl)methylene]-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-meth (2Z)-2-[(4-tert-butylphenyl)meth…

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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) 4.27 7.62 -43.65 3 6 1 78 451.587 6 ↓
Hi High (pH 8-9.5) 4.27 5.91 -45.87 1 6 -1 80 449.571 6 ↓
Mid Mid (pH 6-8) 4.27 7.69 -41.34 3 6 1 78 451.587 6 ↓
Mid Mid (pH 6-8) 4.27 8.19 -30.18 2 6 0 81 450.579 6 ↓
Mid Mid (pH 6-8) 4.27 5.35 -9.6 2 6 0 77 450.579 6 ↓

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