UCSF

ZINC54909101

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 19 Yes

Popular Name: N-[[2-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]thiazol-5-yl]methyl]ethanamine N-[[2-[(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) 2.50 6.52 -39.73 2 4 1 42 282.433 4 ↓
Hi High (pH 8-9.5) 2.50 5.15 -4.94 1 4 0 37 281.425 4 ↓

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

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