UCSF

ZINC43424639

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 Yes

Popular Name: [(1S,2R)-1-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-methyl-cyclohexyl] [(1S,2R)-1-[(4aS,7aS)-3,4a,5,6,7…

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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) 2.09 2.33 -45.37 3 3 1 40 253.41 2 ↓
Lo Low (pH 4.5-6) 2.09 4.25 -121.95 4 3 2 41 254.418 2 ↓

Activity (Go SEA)

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