UCSF

ZINC54907073

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 20 Yes

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

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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) 2.62 6.74 -40.05 2 4 1 42 294.444 2 ↓
Hi High (pH 8-9.5) 2.62 5.32 -6.46 1 4 0 37 293.436 2 ↓
Mid Mid (pH 6-8) 2.62 6.32 -89.62 3 4 2 43 295.452 2 ↓

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

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