UCSF

ZINC52573084

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 19 Yes

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

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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) 1.72 4.16 -42.47 2 4 1 42 265.377 4 ↓
Mid Mid (pH 6-8) 1.72 6.39 -107.25 3 4 2 43 266.385 4 ↓

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

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