UCSF

ZINC43985924

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 20 Yes

Popular Name: (3S,4S)-3-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-propyl-tetrahydropyran-4 (3S,4S)-3-[(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) 2.33 4.13 -36.91 2 4 1 38 283.436 4 ↓
Lo Low (pH 4.5-6) 2.33 6.13 -114.15 3 4 2 40 284.444 4 ↓

Activity (Go SEA)

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