UCSF

ZINC43424389

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]ethanamine 2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-o…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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) 0.38 0.43 -45.07 3 3 1 40 185.291 2 ↓
Lo Low (pH 4.5-6) 0.38 2.64 -117.22 4 3 2 41 186.299 2 ↓

Activity (Go SEA)

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