UCSF

ZINC39911730

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Substance Information

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

Popular Name: (3aR,4R)-4-(3-benzyloxyphenyl)-3-(2-hydroxy-3,5-dimethyl-phenyl)-5-(3-methoxypropyl)-3a,4-dihydropyr (3aR,4R)-4-(3-benzyloxyphenyl)-3…

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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) 5.43 10.9 -13.33 2 7 0 88 497.595 9 ↓
Hi High (pH 8-9.5) 5.20 11.66 -47.45 0 7 -1 87 496.587 9 ↓
Hi High (pH 8-9.5) 5.20 11.19 -55.53 0 7 -1 87 496.587 9 ↓
Hi High (pH 8-9.5) 5.43 11.72 -42.33 1 7 -1 91 496.587 9 ↓

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