UCSF

ZINC40448878

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 17 Yes

Popular Name: 2-Boc-Octahydropyrazino[1,2-a]pyrazine 2-Boc-Octahydropyrazino[1,2-a]py…

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CAS Numbers: 1159825-34-9 , [1159825-34-9]

Download: MOL2 SDF SMILES Flexibase

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) 0.55 2.39 -43.13 2 5 1 49 242.343 2 ↓
Hi High (pH 8-9.5) 0.55 1.02 -5.22 1 5 0 45 241.335 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem

Activity (Go SEA)

Rings

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

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