UCSF

ZINC12846090

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Substance Information

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

Popular Name: (5S,7S)-5-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyra (5S,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 8.93 -91.39 4 9 2 101 480.491 9 ↓
Mid Mid (pH 6-8) 2.03 8.5 -45.05 3 9 1 96 479.483 9 ↓
Mid Mid (pH 6-8) 2.03 7.95 -20.15 2 9 0 95 478.475 9 ↓
Mid Mid (pH 6-8) 2.20 8.42 -49.5 3 9 1 100 479.483 9 ↓

Activity (Go SEA)

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