UCSF

ZINC39911787

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Substance Information

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

Popular Name: (3aR,4R)-4-(3-ethoxy-4-hydroxy-phenyl)-3-(2-hydroxy-3,5-dimethyl-phenyl)-5-propyl-3a,4-dihydropyrrol (3aR,4R)-4-(3-ethoxy-4-hydroxy-p…

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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) 4.14 6.45 -15.37 3 7 0 99 421.497 6 ↓
Hi High (pH 8-9.5) 3.91 6.77 -51.79 1 7 -1 98 420.489 6 ↓
Hi High (pH 8-9.5) 3.91 7.03 -55.89 1 7 -1 98 420.489 6 ↓
Hi High (pH 8-9.5) 4.14 7.43 -37.83 2 7 -1 102 420.489 6 ↓

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