UCSF

ZINC70096638

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2011 18 Yes

Popular Name: (2S)-2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-pyrimidin-4-yl-ethanam (2S)-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) -0.23 2.02 -51.31 3 5 1 66 249.338 3 ↓
Hi High (pH 8-9.5) -0.23 1.94 -6.52 2 5 0 64 248.33 3 ↓
Lo Low (pH 4.5-6) -0.23 4.31 -129.76 4 5 2 67 250.346 3 ↓

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

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