UCSF

ZINC39912315

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Substance Information

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

Popular Name: (3aR,4R)-5-benzyl-3-(2-hydroxy-3,5-dimethyl-phenyl)-4-(3-pentoxyphenyl)-3a,4-dihydropyrrolo[3,4-c]py (3aR,4R)-5-benzyl-3-(2-hydroxy-3…

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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) 6.92 13.52 -11 2 6 0 78 495.623 9 ↓
Hi High (pH 8-9.5) 6.69 14.07 -44.97 0 6 -1 77 494.615 9 ↓
Hi High (pH 8-9.5) 6.69 13.85 -53.59 0 6 -1 77 494.615 9 ↓
Hi High (pH 8-9.5) 6.92 14.64 -39.44 1 6 -1 81 494.615 9 ↓

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