UCSF

ZINC52540273

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 21 Yes

Popular Name: [2-[[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]methyl]benzofuran-3-yl]metha [2-[[(4aS,7aS)-3,4a,5,6,7,7a-hex…

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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) 2.15 3.9 -49.91 3 4 1 53 287.383 3 ↓
Hi High (pH 8-9.5) 2.15 3.5 -5.93 2 4 0 52 286.375 3 ↓
Mid Mid (pH 6-8) 2.15 6.39 -122.36 4 4 2 54 288.391 3 ↓

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

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