UCSF

ZINC39911951

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Substance Information

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

Popular Name: (4S,6aS)-5-butyl-4-(4-hexoxyphenyl)-3-(2-hydroxy-3,5-dimethyl-phenyl)-4,6a-dihydropyrrolo[3,4-c]pyra (4S,6aS)-5-butyl-4-(4-hexoxyphen…

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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) 7.49 12.8 -11.83 2 6 0 78 475.633 11 ↓
Hi High (pH 8-9.5) 7.49 13.92 -37.99 1 6 -1 81 474.625 11 ↓

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