UCSF

ZINC41585416

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Substance Information

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

Popular Name: (2E)-2-[(4-dimethylaminophenyl)methylene]-7-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-6-hydroxy-4-m (2E)-2-[(4-dimethylaminophenyl)m…

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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) 5.11 13.18 -41.58 2 6 1 61 488.583 5 ↓
Mid Mid (pH 6-8) 5.11 13.73 -31.28 1 6 0 64 487.575 5 ↓
Mid Mid (pH 6-8) 5.11 10.92 -10.84 1 6 0 60 487.575 5 ↓
Mid Mid (pH 6-8) 5.11 11.54 -50.13 0 6 -1 63 486.567 5 ↓
Lo Low (pH 4.5-6) 5.11 13.97 -76.23 3 6 0 63 489.591 5 ↓

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