UCSF

ZINC69134410

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 18 Yes

Popular Name: 2-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine 2-[[(2S,6S)-2,6-dimethylpiperazi…

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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) 1.30 5.53 -79.71 3 4 2 38 246.358 2 ↓
Hi High (pH 8-9.5) 1.30 4.21 -8.42 1 4 0 33 244.342 2 ↓
Mid Mid (pH 6-8) 1.30 5.37 -40.49 2 4 1 37 245.35 2 ↓

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

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