UCSF

ZINC69145787

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 20 Yes

Popular Name: (2S)-3-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-cyclopropyl-2-(methylamino) (2S)-3-[(4aS,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) -0.45 7.2 -34.01 2 5 0 69 282.384 5 ↓
Hi High (pH 8-9.5) -0.45 6.16 -44.52 1 5 -1 65 281.376 5 ↓
Lo Low (pH 4.5-6) -0.45 6.86 -65.1 3 5 1 70 283.392 5 ↓

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Rings

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

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