UCSF

ZINC68896310

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2011 16 Yes

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

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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) 1.31 3.18 -40.96 3 3 1 40 225.356 3 ↓
Lo Low (pH 4.5-6) 1.31 5.04 -125.1 4 3 2 41 226.364 3 ↓

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

No pre-computed analogs available. Try a structural similarity search.