UCSF

ZINC39912275

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (3aR,4S)-5-benzyl-4-(3,4-dimethoxyphenyl)-3-(2-hydroxy-3,5-dimethyl-phenyl)-3a,4-dihydropyrrolo[3,4- (3aR,4S)-5-benzyl-4-(3,4-dimetho…

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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) 4.59 10.19 -16.59 2 7 0 88 469.541 6 ↓
Hi High (pH 8-9.5) 4.36 9.88 -59 0 7 -1 87 468.533 6 ↓
Hi High (pH 8-9.5) 4.36 9.78 -52.31 0 7 -1 87 468.533 6 ↓
Hi High (pH 8-9.5) 4.59 11.19 -45.14 1 7 -1 91 468.533 6 ↓

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