UCSF

ZINC13276035

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 33 No

Popular Name: 3-[(2R)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-5-oxo-2H-p 3-[(2R)-3-(cyclopropanecarbonyl)…

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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) 2.35 9.65 -129.94 0 9 -2 128 449.415 6 ↓
Mid Mid (pH 6-8) 1.76 8.77 -78.21 0 9 -1 122 450.423 6 ↓
Mid Mid (pH 6-8) 2.35 7.62 -84.36 1 9 -1 125 450.423 5 ↓

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

No pre-computed analogs available. Try a structural similarity search.