UCSF

ZINC71552391

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 22 Yes

Popular Name: 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethanone 1-[4-(2-hydroxyethyl)piperazin-1…

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Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

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) 0.73 3.75 -20.12 1 6 0 61 302.378 4 ↓
Mid Mid (pH 6-8) 0.73 5.99 -49.78 2 6 1 62 303.386 4 ↓
Mid Mid (pH 6-8) 0.73 4.05 -33.29 2 6 1 62 303.386 4 ↓
Lo Low (pH 4.5-6) 0.73 6.3 -83 3 6 2 64 304.394 4 ↓

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Rings

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

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