UCSF

ZINC39898849

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 38 Yes

Popular Name: (4R,6aS)-5-benzyl-4-(4-benzyloxyphenyl)-3-(5-chloro-2-hydroxy-phenyl)-4,6a-dihydropyrrolo[3,4-c]pyra (4R,6aS)-5-benzyl-4-(4-benzyloxy…

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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) 6.45 14.37 -40.8 1 6 -1 81 520.996 7 ↓
Mid Mid (pH 6-8) 6.45 13.6 -15.49 2 6 0 78 522.004 7 ↓
Mid Mid (pH 6-8) 6.45 13.51 -12.95 2 6 0 78 522.004 7 ↓

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