UCSF

ZINC39911783

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Substance Information

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

Popular Name: (3aR,4R)-4-(3,4-dimethoxyphenyl)-3-(2-hydroxy-3,5-dimethyl-phenyl)-5-propyl-3a,4-dihydropyrrolo[3,4- (3aR,4R)-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 7.6 -16.07 2 7 0 88 421.497 6 ↓
Hi High (pH 8-9.5) 3.84 7.92 -52.3 0 7 -1 87 420.489 6 ↓
Hi High (pH 8-9.5) 3.84 8.18 -58.45 0 7 -1 87 420.489 6 ↓
Hi High (pH 8-9.5) 4.07 8.58 -40.43 1 7 -1 91 420.489 6 ↓

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