UCSF

ZINC12469493

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 36 Yes

Popular Name: (7R)-N-(4-fluorophenyl)-2-(3-hydroxypropyl)-5-methyl-7-(3,4,5-trimethoxyphenyl)-1,7-dihydro-[1,2,4]t (7R)-N-(4-fluorophenyl)-2-(3-hyd…

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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) 2.54 8.6 -16.83 3 10 0 120 497.527 9 ↓
Mid Mid (pH 6-8) 2.72 9.2 -57.22 4 10 1 124 498.535 9 ↓
Mid Mid (pH 6-8) 2.72 8.77 -42.09 2 10 -1 121 496.519 9 ↓

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