UCSF

ZINC41514108

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 29 No

Popular Name: (2Z)-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-methyl-2-[(3-methyl-2-thienyl)methylen (2Z)-6-hydroxy-7-[[4-(2-hydroxye…

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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) 2.84 4.94 -42.58 3 6 1 78 415.535 5 ↓
Hi High (pH 8-9.5) 2.84 3.24 -46.29 1 6 -1 80 413.519 5 ↓
Mid Mid (pH 6-8) 2.84 5.51 -30.45 2 6 0 81 414.527 5 ↓
Mid Mid (pH 6-8) 2.84 5 -41.76 3 6 1 78 415.535 5 ↓
Mid Mid (pH 6-8) 2.84 2.67 -10.08 2 6 0 77 414.527 5 ↓

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