UCSF

ZINC01154052

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 30 Yes

Popular Name: (4R,5S,6R)-6-(1,3-benzodioxol-5-yl)-4-hydroxy-5-p-toluoyl-4-(trifluoromethyl)hexahydropyrimidin-2-on (4R,5S,6R)-6-(1,3-benzodioxol-5-…

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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) 3.39 3.61 -12.24 3 7 0 97 422.359 4 ↓
Hi High (pH 8-9.5) 3.02 2.93 -36.48 3 7 0 105 422.359 4 ↓
Mid Mid (pH 6-8) 3.02 2.14 -46.92 4 7 1 102 423.367 4 ↓

Activity (Go SEA)

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