UCSF

ZINC61317334

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 17 Yes

Popular Name: 1-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-methyl-2-(methylamino)propan-1-one 1-[(9aS)-1,3,4,6,7,8,9,9a-octahy…

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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) 1.04 2.75 -36.02 2 4 1 40 240.371 2 ↓
Hi High (pH 8-9.5) 1.04 2.88 -5.73 1 4 0 36 239.363 2 ↓
Mid Mid (pH 6-8) 1.04 5.01 -90.25 3 4 2 41 241.379 2 ↓

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

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