UCSF

ZINC11816881

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 27 No

Popular Name: (3aS,6aR)-5-(benzofuran-2-ylmethyl)-3-[2-(2-pyridyl)ethyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-d]oxazol- (3aS,6aR)-5-(benzofuran-2-ylmeth…

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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) 2.52 0.66 -58.39 1 6 1 60 364.425 5 ↓
Lo Low (pH 4.5-6) 2.52 0.79 -118.6 2 6 2 61 365.433 5 ↓

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

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