UCSF

ZINC53299181

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2010 20 Yes

Popular Name: 3-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-1-piperazin-1-yl-propan-1-one 3-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-o…

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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) 0.49 2.95 -50.62 2 5 1 49 282.408 3 ↓
Mid Mid (pH 6-8) 0.49 1.65 -8.48 1 5 0 45 281.4 3 ↓
Mid Mid (pH 6-8) 0.49 5.16 -100.88 3 5 2 51 283.416 3 ↓

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

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