UCSF

ZINC62977218

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 38 No

Popular Name: (2E)-7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-[[4-(diethylamino)phenyl]methylene]-6-hydroxy-4- (2E)-7-[[4-(3-chlorophenyl)piper…

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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) 6.40 12.97 -41.17 2 6 0 61 533.092 7 ↓
Hi High (pH 8-9.5) 6.40 12.83 -10.28 1 6 0 60 532.084 7 ↓
Hi High (pH 8-9.5) 6.40 13.43 -45.33 0 6 -1 63 531.076 7 ↓
Mid Mid (pH 6-8) 6.40 15.77 -56.79 2 6 0 65 533.092 7 ↓
Mid Mid (pH 6-8) 6.40 15.21 -77.94 3 6 0 63 534.1 7 ↓
Mid Mid (pH 6-8) 6.40 15.09 -47.84 2 6 1 61 533.092 7 ↓

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