UCSF

ZINC52573151

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 18 Yes

Popular Name: [5-[[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]methyl]isoxazol-3-yl]methanamine [5-[[(4aS,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) 1.12 1.12 -49.77 3 5 1 66 252.338 3 ↓
Hi High (pH 8-9.5) 1.12 0.72 -6.46 2 5 0 65 251.33 3 ↓
Mid Mid (pH 6-8) 1.12 3.31 -104.64 4 5 2 67 253.346 3 ↓

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

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