UCSF

ZINC53444136

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 20 Yes

Popular Name: 2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-[(5-methyl-2-thienyl)methyl]etha 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) 2.88 6.11 -43.11 2 3 1 29 295.472 5 ↓
Mid Mid (pH 6-8) 2.88 4.76 -3.75 1 3 0 24 294.464 5 ↓
Lo Low (pH 4.5-6) 2.88 6.95 -35.85 2 3 1 26 295.472 5 ↓
Lo Low (pH 4.5-6) 2.88 8.31 -123.07 3 3 2 30 296.48 5 ↓

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Rings

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

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