UCSF

ZINC69080677

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 18 Yes

Popular Name: (2R)-3-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-amino-2-cyclopropyl-propane (2R)-3-[(4aR,8aR)-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) 1.70 2.6 -6.59 2 4 0 62 249.358 3 ↓
Lo Low (pH 4.5-6) 1.70 2.97 -49.41 3 4 1 64 250.366 3 ↓
Lo Low (pH 4.5-6) 1.70 4.4 -37.25 3 4 1 63 250.366 3 ↓

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

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