UCSF

ZINC00909102

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 28 Yes

Popular Name: (4S,5R,6S)-5-benzoyl-4-hydroxy-6-(4-methoxyphenyl)-4-(trifluoromethyl)hexahydropyrimidin-2-one (4S,5R,6S)-5-benzoyl-4-hydroxy-6…

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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) 3.10 2.03 -9.69 3 6 0 88 394.349 5 ↓
Hi High (pH 8-9.5) 2.73 1.09 -29.65 3 6 0 96 394.349 5 ↓
Mid Mid (pH 6-8) 2.73 0.53 -40.62 4 6 1 93 395.357 5 ↓

Activity (Go SEA)

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