UCSF

ZINC52540268

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 17 Yes

Popular Name: [5-[[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]methyl]isoxazol-3-yl]methana [5-[[(4aS,7aR)-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) 0.62 0.58 -49.78 3 5 1 66 238.311 3 ↓
Hi High (pH 8-9.5) 0.62 0.17 -7.75 2 5 0 65 237.303 3 ↓
Mid Mid (pH 6-8) 0.62 2.68 -103.84 4 5 2 67 239.319 3 ↓

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

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