UCSF

ZINC17994417

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 37 No

Popular Name: (3S,3aR,6aR)-3-(4-butoxy-3-ethoxy-phenyl)-5-(o-tolyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxaz (3S,3aR,6aR)-3-(4-butoxy-3-ethox…

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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) 5.89 15.33 -14.42 0 7 0 68 500.595 9 ↓
Ref Reference (pH 7) 5.89 15.26 -12.04 0 7 0 68 500.595 9 ↓

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

No pre-computed analogs available. Try a structural similarity search.