UCSF

ZINC53425842

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 19 Yes

Popular Name: 2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-[(4-bromo-2-thienyl)methyl] 2-[(4aS,7aR)-3,4a,5,6,7,7a-hexah…

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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) 2.89 5.29 -46 2 3 1 29 346.314 5 ↓
Mid Mid (pH 6-8) 2.89 3.94 -3.13 1 3 0 24 345.306 5 ↓
Lo Low (pH 4.5-6) 2.89 7.36 -128.02 3 3 2 30 347.322 5 ↓
Lo Low (pH 4.5-6) 2.89 6.04 -38.09 2 3 1 26 346.314 5 ↓

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Rings

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

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