UCSF

ZINC35894959

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 29 Yes

Popular Name: (4aS,5S)-N-(2-morpholinoethyl)-8-(trifluoromethyl)-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinoli (4aS,5S)-N-(2-morpholinoethyl)-8…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.09 3.96 -13.66 1 6 0 54 413.44 5 ↓
Mid Mid (pH 6-8) 2.09 6.22 -49.23 2 6 1 55 414.448 5 ↓

Activity (Go SEA)

Rings

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