UCSF

ZINC41514053

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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-[(3-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) 2.50 6.02 -55.78 3 9 1 124 440.476 6 ↓
Hi High (pH 8-9.5) 2.50 4.31 -43.47 1 9 -1 126 438.46 6 ↓
Mid Mid (pH 6-8) 2.50 6.09 -49.49 3 9 1 124 440.476 6 ↓
Mid Mid (pH 6-8) 2.50 6.59 -38.16 2 9 0 127 439.468 6 ↓
Mid Mid (pH 6-8) 2.50 3.74 -12.23 2 9 0 123 439.468 6 ↓

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