UCSF

ZINC62605663

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 16 Yes

Popular Name: (7S)-7-isopropyl-1,2,3,4,6,7,8,9-octahydropyrazino[1,2-a]benzimidazole (7S)-7-isopropyl-1,2,3,4,6,7,8,9…

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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) 2.74 5.54 -24.28 2 3 1 31 220.34 1 ↓
Lo Low (pH 4.5-6) 2.74 6.47 -48.93 2 3 1 34 220.34 1 ↓

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Rings

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

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