UCSF

ZINC43424894

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 Yes

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

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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) 2.36 3.65 -44.95 3 3 1 40 267.437 2 ↓
Lo Low (pH 4.5-6) 2.36 5.58 -122.15 4 3 2 41 268.445 2 ↓

Activity (Go SEA)

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