UCSF

ZINC52573134

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 21 Yes

Popular Name: N-[[5-[[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]methyl]isoxazol-3-yl]methyl]pr N-[[5-[[(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) 2.17 4.48 -41.55 2 5 1 55 294.419 5 ↓
Hi High (pH 8-9.5) 2.17 3.29 -5.41 1 5 0 51 293.411 5 ↓
Mid Mid (pH 6-8) 2.17 6.71 -96.66 3 5 2 56 295.427 5 ↓

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

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