UCSF

ZINC01132326

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 36 No

Popular Name: (5R)-5-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-keto-1-(3- (5R)-5-(3-bromo-4-hydroxy-5-meth…

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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 5.85 -62.25 1 9 -1 121 552.357 6 ↓
Hi High (pH 8-9.5) 2.35 6.76 -116.01 0 9 -2 124 551.349 6 ↓
Lo Low (pH 4.5-6) 2.35 5.11 -21.26 2 9 0 118 553.365 6 ↓

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

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