UCSF

ZINC39912039

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 35 Yes

Popular Name: (3aR,4R)-4-(3,4-diethoxyphenyl)-3-(2-hydroxy-3,5-dimethyl-phenyl)-5-pentyl-3a,4-dihydropyrrolo[3,4-c (3aR,4R)-4-(3,4-diethoxyphenyl)-…

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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) 5.89 11 -15.71 2 7 0 88 477.605 10 ↓
Hi High (pH 8-9.5) 5.66 11.33 -51.76 0 7 -1 87 476.597 10 ↓
Hi High (pH 8-9.5) 5.66 11.58 -58.81 0 7 -1 87 476.597 10 ↓
Hi High (pH 8-9.5) 5.89 11.95 -40.87 1 7 -1 91 476.597 10 ↓

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