UCSF

ZINC39912389

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Substance Information

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

Popular Name: (3aR,4R)-4-(3-butoxyphenyl)-3-(2-hydroxy-3,5-dimethyl-phenyl)-5-(p-tolylmethyl)-3a,4-dihydropyrrolo[ (3aR,4R)-4-(3-butoxyphenyl)-3-(2…

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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) 6.86 13.41 -11.07 2 6 0 78 495.623 8 ↓
Hi High (pH 8-9.5) 6.63 13.97 -45.15 0 6 -1 77 494.615 8 ↓
Hi High (pH 8-9.5) 6.63 13.75 -53.7 0 6 -1 77 494.615 8 ↓
Hi High (pH 8-9.5) 6.86 14.53 -39.61 1 6 -1 81 494.615 8 ↓

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