UCSF

ZINC41585121

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Substance Information

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

Popular Name: (2E)-2-[(4-dimethylaminophenyl)methylene]-6-hydroxy-4-methyl-7-[(4-phenylpiperazin-1-yl)methyl]benzo (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) 5.00 12.36 -47.44 2 6 1 61 470.593 5 ↓
Mid Mid (pH 6-8) 5.00 13.16 -31.11 1 6 0 64 469.585 5 ↓
Mid Mid (pH 6-8) 5.00 10.19 -10.43 1 6 0 60 469.585 5 ↓
Mid Mid (pH 6-8) 5.00 10.91 -45.23 0 6 -1 63 468.577 5 ↓
Lo Low (pH 4.5-6) 5.00 13.16 -81.55 3 6 0 63 471.601 5 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )