UCSF

ZINC34668898

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 35 Yes

Popular Name: [3-[[(2,4-difluorophenyl)methyl-(2-morpholinoethyl)amino]methyl]phenyl]-(4-ethylpiperazin-1-yl)metha [3-[[(2,4-difluorophenyl)methyl-…

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Vendors

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) 2.48 11.71 -95.55 2 6 2 42 488.623 9 ↓
Mid Mid (pH 6-8) 2.48 9.5 -47.38 1 6 1 40 487.615 9 ↓
Mid Mid (pH 6-8) 2.48 9.26 -46.59 1 6 1 40 487.615 9 ↓
Mid Mid (pH 6-8) 2.48 7.05 -10.99 0 6 0 39 486.607 9 ↓
Lo Low (pH 4.5-6) 2.48 11.52 -83.32 2 6 2 42 488.623 9 ↓

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