UCSF

ZINC54430653

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 32 Yes

Popular Name: (4R)-4-(3-ethoxy-4-hydroxy-phenyl)-2-(4-isopropylanilino)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5] (4R)-4-(3-ethoxy-4-hydroxy-pheny…

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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) 4.83 10.88 -42.04 2 8 -1 107 432.504 6 ↓
Mid Mid (pH 6-8) 3.09 11.23 -64.56 3 8 1 104 434.52 10 ↓
Mid Mid (pH 6-8) 4.83 10.27 -114.98 1 8 -2 109 431.496 6 ↓
Lo Low (pH 4.5-6) 4.07 13.33 -35.74 3 8 1 100 434.52 6 ↓

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Rings

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