UCSF

ZINC12846095

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 34 No

Popular Name: (5R,7S)-5-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyra (5R,7S)-5-(3,4-dimethoxyphenyl)-…

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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) 2.20 9.56 -92.08 4 9 2 101 480.491 9 ↓
Mid Mid (pH 6-8) 2.03 8.69 -19.13 2 9 0 95 478.475 9 ↓
Mid Mid (pH 6-8) 2.03 9.22 -44.88 3 9 1 96 479.483 9 ↓
Mid Mid (pH 6-8) 2.20 9.05 -50.12 3 9 1 100 479.483 9 ↓

Activity (Go SEA)

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