UCSF

ZINC66442677

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2011 18 Yes

Popular Name: 2-(2-methylpropyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-8-amine 2-(2-methylpropyl)-1,2,3,4-tetra…

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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) 1.44 5.09 -24.33 3 4 1 48 245.35 2 ↓
Mid Mid (pH 6-8) 1.44 6.61 -45.89 3 4 1 48 245.35 2 ↓
Mid Mid (pH 6-8) 1.44 4.67 -9.36 2 4 0 47 244.342 2 ↓

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Rings

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

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