UCSF

ZINC62977224

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 39 No

Popular Name: (2E)-2-[[4-(diethylamino)phenyl]methylene]-6-hydroxy-7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4 (2E)-2-[[4-(diethylamino)phenyl]…

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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) 5.81 13.99 -78.97 3 7 0 72 529.681 8 ↓
Hi High (pH 8-9.5) 5.81 14.43 -33.88 1 7 0 73 527.665 8 ↓
Hi High (pH 8-9.5) 5.81 11.6 -11.61 1 7 0 69 527.665 8 ↓
Hi High (pH 8-9.5) 5.81 12.2 -46.25 0 7 -1 72 526.657 8 ↓
Mid Mid (pH 6-8) 5.81 14.55 -61.89 2 7 0 75 528.673 8 ↓
Mid Mid (pH 6-8) 5.81 11.72 -45.44 2 7 0 71 528.673 8 ↓
Mid Mid (pH 6-8) 5.81 13.87 -48.43 2 7 1 71 528.673 8 ↓

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