UCSF

ZINC65365957

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2011 25 Yes

Popular Name: (3aR,6aR)-5-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1,2,3,3a,4,6-hexahydropyrrolo (3aR,6aR)-5-methyl-N-[[4-(5-meth…

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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) 1.22 1.42 -53.71 3 7 1 88 342.423 4 ↓
Hi High (pH 8-9.5) 1.22 2.67 -49.42 3 7 1 84 342.423 4 ↓
Hi High (pH 8-9.5) 1.22 -0.03 -13.91 2 7 0 83 341.415 4 ↓
Lo Low (pH 4.5-6) 1.22 4.12 -118.4 4 7 2 89 343.431 4 ↓

Activity (Go SEA)

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