UCSF

ZINC62524910

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 20 Yes

Popular Name: (2S)-4-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-(cyclopropylamino)butanoic (2S)-4-[(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) -0.23 5.14 -34.98 2 5 0 69 282.384 6 ↓
Mid Mid (pH 6-8) -0.23 6.4 -47.75 2 5 0 66 282.384 6 ↓
Mid Mid (pH 6-8) -0.23 7.3 -81.7 3 5 1 70 283.392 6 ↓

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

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