UCSF

ZINC52540238

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Substance Information

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

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

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Download: MOL2 SDF SMILES Flexibase

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) 2.18 4.26 -39.54 2 5 1 55 294.419 5 ↓
Hi High (pH 8-9.5) 2.18 3.02 -5.47 1 5 0 51 293.411 5 ↓
Mid Mid (pH 6-8) 2.18 6.37 -96.33 3 5 2 56 295.427 5 ↓

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

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