UCSF

ZINC62948954

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Substance Information

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

Popular Name: (4aS,8aS)-4-[(3R,6R)-6-methyl-3-piperidyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aS)-4-[(3R,6R)-6-methyl-3-…

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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) 2.08 2.28 -1.92 1 3 0 24 238.375 1 ↓
Mid Mid (pH 6-8) 2.08 3.54 -38.15 2 3 1 29 239.383 1 ↓
Lo Low (pH 4.5-6) 2.08 4.4 -30.62 2 3 1 26 239.383 1 ↓
Lo Low (pH 4.5-6) 2.08 5.66 -107.63 3 3 2 30 240.391 1 ↓

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Rings

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

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