UCSF

ZINC65531132

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 27 Yes

Popular Name: (3aR,7S,8aS)-2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-7-(2-methoxyphenyl)-3a,5,6,7,8,8a-hexahydro- (3aR,7S,8aS)-2-[5-(methoxymethyl…

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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) -0.33 -1.18 -14.93 2 9 0 111 371.397 5 ↓
Mid Mid (pH 6-8) -0.33 -0.2 -34.49 3 9 1 112 372.405 5 ↓

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

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