UCSF

ZINC43424830

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Substance Information

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

Popular Name: [4-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]tetrahydropyran-4-yl]methanamine [4-[(4aR,8aR)-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) 0.83 1.18 -48.68 3 4 1 49 255.382 2 ↓
Lo Low (pH 4.5-6) 0.83 2.67 -119.32 4 4 2 51 256.39 2 ↓

Activity (Go SEA)

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