UCSF

ZINC43424097

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 Yes

Popular Name: (1R,2S)-1-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-1-(3-pyridyl)butan-2-amine (1R,2S)-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) 1.66 3.36 -48.29 3 4 1 53 290.431 4 ↓
Lo Low (pH 4.5-6) 1.66 3.78 -113.92 4 4 2 54 291.439 4 ↓
Lo Low (pH 4.5-6) 1.66 5.15 -115.41 4 4 2 54 291.439 4 ↓

Activity (Go SEA)

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