UCSF

ZINC43985392

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 19 Yes

Popular Name: (1S,2R,4R)-2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N,4-dimethyl-cyclohexan (1S,2R,4R)-2-[(4aS,8aS)-2,3,4a,5…

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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) 2.75 5.5 -35.91 2 3 1 29 267.437 2 ↓
Mid Mid (pH 6-8) 2.75 7.59 -111.54 3 3 2 30 268.445 2 ↓

Activity (Go SEA)

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