UCSF

ZINC69079883

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 20 Yes

Popular Name: (2R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-cyclopropyl-2-(propyla (2R)-3-[(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) 2.45 5.43 -4.63 1 4 0 48 277.412 6 ↓
Mid Mid (pH 6-8) 2.45 5.39 -36.47 2 4 1 49 278.42 6 ↓
Lo Low (pH 4.5-6) 2.45 6.67 -45.43 2 4 1 53 278.42 6 ↓

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

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