UCSF

ZINC69132072

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 20 Yes

Popular Name: (2S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-cyclopropyl-2-(ethylam (2S)-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) 0.89 1.36 -44.29 4 5 1 72 282.408 6 ↓
Hi High (pH 8-9.5) 0.89 0.4 -5.6 3 5 0 68 281.4 6 ↓
Lo Low (pH 4.5-6) 0.89 2.02 -29.41 4 5 1 69 282.408 6 ↓

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

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