UCSF

ZINC62319526

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 14 Yes

Popular Name: Imidazo[1,2-a]pyrazine-7(8H)-propanenitrile, a-amino-5,6-dihydro- Imidazo[1,2-a]pyrazine-7(8H)-pro…

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CAS Number: 1342692-22-1

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) -1.59 1.39 -36.24 3 5 1 72 192.246 2 ↓
Hi High (pH 8-9.5) -1.59 0.67 -11.7 2 5 0 71 191.238 2 ↓
Lo Low (pH 4.5-6) -1.59 1.8 -106.03 4 5 2 74 193.254 2 ↓

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

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