UCSF

ZINC43426248

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 Yes

Popular Name: 2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-1-(3-fluoro-4-methoxy-phenyl) 2-[(4aS,7aS)-3,4a,5,6,7,7a-hexah…

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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) 2.37 4.79 -8.13 0 4 0 39 293.338 4 ↓
Lo Low (pH 4.5-6) 2.37 6.97 -40.43 1 4 1 40 294.346 4 ↓

Activity (Go SEA)

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