UCSF

ZINC37812704

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 Yes

Popular Name: (2R)-1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-amino-3-methyl-butan-1-one (2R)-1-[(9aR)-1,3,4,6,7,8,9,9a-o…

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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) 0.44 2.18 -42.24 3 4 1 51 240.371 2 ↓
Hi High (pH 8-9.5) 0.44 1.9 -5.88 2 4 0 50 239.363 2 ↓
Mid Mid (pH 6-8) 0.44 4.44 -99.46 4 4 2 52 241.379 2 ↓

Activity (Go SEA)

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