UCSF

ZINC43985556

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 18 Yes

Popular Name: (3R,4R)-3-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-methyl-tetrahydropyran-4 (3R,4R)-3-[(4aS,8aS)-2,3,4a,5,6,…

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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) 1.45 2.72 -38.87 2 4 1 38 255.382 2 ↓
Lo Low (pH 4.5-6) 1.45 4.78 -113.61 3 4 2 40 256.39 2 ↓

Activity (Go SEA)

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