UCSF

ZINC65532221

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 26 Yes

Popular Name: (9aS)-8-[1-(4-fluoro-2-methyl-phenyl)-4-piperidyl]-2,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-1,4 (9aS)-8-[1-(4-fluoro-2-methyl-ph…

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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) 1.17 4.14 -9.54 1 6 0 56 360.433 2 ↓
Mid Mid (pH 6-8) 1.17 4.28 -38.5 2 6 1 57 361.441 2 ↓
Mid Mid (pH 6-8) 1.17 6.37 -50 2 6 1 57 361.441 2 ↓

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Rings

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

No pre-computed analogs available. Try a structural similarity search.