UCSF

ZINC58563812

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 21 Yes

Popular Name: 2-[(4-isopentylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine 2-[(4-isopentylpiperazin-1-yl)me…

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Download: MOL2 SDF SMILES Flexibase

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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) 2.89 9.74 -79.89 2 4 2 26 288.439 5 ↓
Hi High (pH 8-9.5) 2.89 7.47 -26.39 1 4 1 25 287.431 5 ↓
Hi High (pH 8-9.5) 2.89 6.73 -9.02 0 4 0 24 286.423 5 ↓
Mid Mid (pH 6-8) 2.89 9 -39.45 1 4 1 25 287.431 5 ↓

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

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