UCSF

ZINC67935420

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 19 Yes

Popular Name: (4aR,8aR)-4-[(1-propylimidazol-2-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aR,8aR)-4-[(1-propylimidazol-2…

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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) 2.02 6.93 -29.92 1 4 1 32 264.393 4 ↓
Hi High (pH 8-9.5) 2.02 5.76 -6.73 0 4 0 30 263.385 4 ↓
Lo Low (pH 4.5-6) 2.02 8.68 -103.14 2 4 2 33 265.401 4 ↓

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Rings

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

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