UCSF

ZINC52573131

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 20 Yes

Popular Name: N-[[5-[[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]methyl]isoxazol-3-yl]methyl]et N-[[5-[[(4aS,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) 1.87 3.85 -43.29 2 5 1 55 280.392 5 ↓
Hi High (pH 8-9.5) 1.87 2.47 -5.8 1 5 0 51 279.384 5 ↓
Mid Mid (pH 6-8) 1.87 6.05 -99.55 3 5 2 56 281.4 5 ↓

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

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