UCSF

ZINC17994954

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 32 No

Popular Name: (3S,3aR,6aR)-3-(3-bromo-4-methoxy-phenyl)-5-(m-tolyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxaz (3S,3aR,6aR)-3-(3-bromo-4-methox…

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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) 5.25 11.89 -12.96 0 6 0 59 493.357 4 ↓
Ref Reference (pH 7) 5.25 11.82 -9.12 0 6 0 59 493.357 4 ↓

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

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