UCSF

ZINC53619091

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 37 Yes

Popular Name: (2R)-2-[[2-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxo-chroman-7-yl]oxyacetyl]amino]- (2R)-2-[[2-[(3S)-3-(2,3-dihydro-…

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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) -0.23 7.92 -76.89 4 12 0 173 509.471 8 ↓
Hi High (pH 8-9.5) -0.23 8.76 -123.68 2 12 -2 175 507.455 8 ↓
Mid Mid (pH 6-8) -0.23 7.77 -66.77 3 12 -1 172 508.463 8 ↓

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

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