UCSF

ZINC43424126

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Substance Information

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

Popular Name: (2S,3R)-2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-1,1,1-trifluoro-pentan-3-a (2S,3R)-2-[(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) 2.23 2.86 -44.52 3 3 1 40 281.342 4 ↓
Hi High (pH 8-9.5) 2.23 2.75 -3.14 2 3 0 38 280.334 4 ↓

Activity (Go SEA)

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