UCSF

ZINC42251298

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Substance Information

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

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

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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) 2.71 6.38 -6.2 0 3 0 36 256.349 2 ↓
Mid Mid (pH 6-8) 2.71 8.6 -43.45 1 3 1 37 257.357 2 ↓

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