UCSF

ZINC54910070

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 18 Yes

Popular Name: 2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]thiazole-5-carboxylic 2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-o…

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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) 2.14 6.68 -49.78 0 5 -1 65 267.33 2 ↓
Lo Low (pH 4.5-6) 2.14 6.24 -35.26 1 5 0 67 268.338 2 ↓

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

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