UCSF

ZINC39911782

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 31 Yes

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

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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) 4.07 7.88 -15.22 2 7 0 88 421.497 6 ↓
Hi High (pH 8-9.5) 3.84 8.21 -57.73 0 7 -1 87 420.489 6 ↓
Hi High (pH 8-9.5) 3.84 8.23 -52.31 0 7 -1 87 420.489 6 ↓
Hi High (pH 8-9.5) 4.07 8.92 -44.5 1 7 -1 91 420.489 6 ↓

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