UCSF

ZINC43424427

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 Yes

Popular Name: [4-[(4aR,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]tetrahydropyran-4-yl]methanam [4-[(4aR,7aR)-3,4a,5,6,7,7a-hexa…

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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) 0.32 0.23 -47.82 3 4 1 49 241.355 2 ↓
Lo Low (pH 4.5-6) 0.32 2.04 -121.67 4 4 2 51 242.363 2 ↓

Activity (Go SEA)

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