UCSF

ZINC53444147

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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-[(4-bromo-2-thienyl)methyl]ethan 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) 3.40 5.89 -46.36 2 3 1 29 360.341 5 ↓
Mid Mid (pH 6-8) 3.40 4.54 -3.19 1 3 0 24 359.333 5 ↓
Lo Low (pH 4.5-6) 3.40 6.73 -36.79 2 3 1 26 360.341 5 ↓
Lo Low (pH 4.5-6) 3.40 8.09 -127.51 3 3 2 30 361.349 5 ↓

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Rings

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

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