UCSF

ZINC41585320

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 35 No

Popular Name: (2E)-7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-[(4-dimethylaminophenyl)methylene]-6-hydroxy-ben (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) 5.28 10.29 -10.98 1 6 0 60 490.003 5 ↓
Mid Mid (pH 6-8) 5.28 10.91 -44.97 0 6 -1 63 488.995 5 ↓
Mid Mid (pH 6-8) 5.28 12.55 -49.09 2 6 1 61 491.011 5 ↓
Mid Mid (pH 6-8) 5.28 13.11 -32.62 1 6 0 64 490.003 5 ↓
Lo Low (pH 4.5-6) 5.28 13.33 -83.24 3 6 0 63 492.019 5 ↓

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