UCSF

ZINC42251250

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 19 Yes

Popular Name: (4aS,8aS)-4-[(2-bromo-4-fluoro-phenyl)methyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aS)-4-[(2-bromo-4-fluoro-p…

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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) 3.88 6.77 -3.15 0 2 0 12 328.225 2 ↓
Lo Low (pH 4.5-6) 3.88 8.88 -34.39 1 2 1 14 329.233 2 ↓

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