UCSF

ZINC41585276

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 No

Popular Name: (2E)-7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-[(4-dimethylaminophenyl)methylene]-6-hydroxy-4-m (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) 5.65 10.95 -10.85 1 6 0 60 504.03 5 ↓
Mid Mid (pH 6-8) 5.65 13.75 -32.05 1 6 0 64 504.03 5 ↓
Mid Mid (pH 6-8) 5.65 13.17 -48.78 2 6 1 61 505.038 5 ↓
Mid Mid (pH 6-8) 5.65 11.53 -45.27 0 6 -1 63 503.022 5 ↓
Lo Low (pH 4.5-6) 5.65 13.97 -80.17 3 6 0 63 506.046 5 ↓

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