UCSF

ZINC39912139

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 34 Yes

Popular Name: (3aR,4R)-5-allyl-4-(3-ethoxy-4-propoxy-phenyl)-3-(2-hydroxy-3,5-dimethyl-phenyl)-3a,4-dihydropyrrolo (3aR,4R)-5-allyl-4-(3-ethoxy-4-p…

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Vendors

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) 5.09 10.32 -15.16 2 7 0 88 461.562 9 ↓
Hi High (pH 8-9.5) 4.86 10.87 -45.74 0 7 -1 87 460.554 9 ↓
Hi High (pH 8-9.5) 4.86 10.57 -57.61 0 7 -1 87 460.554 9 ↓
Hi High (pH 8-9.5) 5.09 11.45 -40.54 1 7 -1 91 460.554 9 ↓

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