UCSF

ZINC12412423

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 35 Yes

Popular Name: N-[(5R)-1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[4,5-e]pyrimidin-5-yl]-2-ethoxy-benzamid N-[(5R)-1-benzyl-2,4,6-trioxo-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) 3.41 6.32 -45.48 2 9 -1 129 487.414 7 ↓
Hi High (pH 8-9.5) 2.93 2.93 -123.35 1 9 -2 135 486.406 7 ↓
Mid Mid (pH 6-8) 2.94 -0.53 -59.1 2 9 -1 132 487.414 7 ↓

Activity (Go SEA)

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