UCSF

ZINC41514091

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 32 No

Popular Name: (2Z)-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-methyl-2-[(4-nitrophenyl)methylene]ben (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) 2.52 6.01 -50.1 3 9 1 124 440.476 6 ↓
Hi High (pH 8-9.5) 2.52 4.32 -44.74 1 9 -1 126 438.46 6 ↓
Mid Mid (pH 6-8) 2.52 6.08 -44.71 3 9 1 124 440.476 6 ↓
Mid Mid (pH 6-8) 2.52 6.58 -33.04 2 9 0 127 439.468 6 ↓
Mid Mid (pH 6-8) 2.52 3.75 -12.34 2 9 0 123 439.468 6 ↓

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