UCSF

ZINC53923972

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 20 Yes

Popular Name: (1S,2S,4S)-2-[[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]methyl]-4-ethyl-cyclohe (1S,2S,4S)-2-[[(4aS,8aS)-2,3,4a,…

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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) 3.41 5.42 -2.76 1 3 0 33 281.44 3 ↓
Mid Mid (pH 6-8) 3.41 6.9 -28.68 2 3 1 34 282.448 3 ↓

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

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