UCSF

ZINC42136984

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 21 Yes

Popular Name: 2-[4-(2-hydroxyethyl)piperazin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic 2-[4-(2-hydroxyethyl)piperazin-1…

Find On: PubMed — Wikipedia — Google

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) 0.60 2.67 -64.46 1 7 -1 84 289.315 4 ↓
Mid Mid (pH 6-8) 0.60 3.64 -32.59 2 7 0 85 290.323 4 ↓
Mid Mid (pH 6-8) 0.60 3.14 -50.71 2 7 0 85 290.323 4 ↓
Lo Low (pH 4.5-6) 0.60 5.43 -81.57 3 7 1 87 291.331 4 ↓
Lo Low (pH 4.5-6) 0.60 4.97 -65.07 2 7 0 85 290.323 4 ↓

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

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