UCSF

ZINC58326843

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 20 Yes

Popular Name: N-[[2-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]-4,5-dihydro-1H-imidazol-2-amine N-[[2-(4-methylpiperazin-1-yl)-3…

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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) 0.10 6.73 -85.17 4 6 2 59 276.388 4 ↓
Hi High (pH 8-9.5) 0.10 4.39 -32.66 3 6 1 57 275.38 4 ↓
Mid Mid (pH 6-8) 0.10 4.86 -80.8 4 6 2 59 276.388 4 ↓
Mid Mid (pH 6-8) 0.10 7.21 -161.69 5 6 3 60 277.396 4 ↓

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Rings

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

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