UCSF

ZINC62526930

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 26 Yes

Popular Name: [(3S,7aR)-3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[2,1-e]imidazol-2-yl]-(3-tert-butyl-5-methyl-isoxazo [(3S,7aR)-3-phenyl-1,3,5,6,7,7a-…

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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) 3.33 10.55 -43.74 1 5 1 51 354.474 3 ↓
Hi High (pH 8-9.5) 3.33 8.27 -9.37 0 5 0 50 353.466 3 ↓

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

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