UCSF

ZINC39912725

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 37 Yes

Popular Name: (3aR,4R)-4-(3,4-diethoxyphenyl)-3-(2-hydroxy-3,5-dimethyl-phenyl)-5-(3-isopropoxypropyl)-3a,4-dihydr (3aR,4R)-4-(3,4-diethoxyphenyl)-…

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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) 4.94 10.5 -16.44 2 8 0 97 507.631 11 ↓
Hi High (pH 8-9.5) 4.71 11.05 -47.13 0 8 -1 96 506.623 11 ↓
Hi High (pH 8-9.5) 4.71 10.75 -58.6 0 8 -1 96 506.623 11 ↓
Hi High (pH 8-9.5) 4.94 11.59 -41.82 1 8 -1 100 506.623 11 ↓

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