UCSF

ZINC43423931

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 Yes

Popular Name: (1R,2S)-1-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-1-(2-thienyl)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) 2.80 4.31 -45.59 3 3 1 40 295.472 4 ↓
Hi High (pH 8-9.5) 2.80 3.9 -2.66 2 3 0 38 294.464 4 ↓
Lo Low (pH 4.5-6) 2.80 6.07 -111.71 4 3 2 41 296.48 4 ↓

Activity (Go SEA)

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