UCSF

ZINC34836686

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 33 Yes

Popular Name: (8S)-N-[[3-(dimethylaminomethyl)-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-meth (8S)-N-[[3-(dimethylaminomethyl)…

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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) 3.08 12.58 -79.49 2 7 2 46 449.647 6 ↓
Hi High (pH 8-9.5) 3.08 10.73 -12.27 0 7 0 43 447.631 6 ↓
Hi High (pH 8-9.5) 3.08 11.73 -28.73 1 7 1 44 448.639 6 ↓
Hi High (pH 8-9.5) 3.08 10.03 -21.47 1 7 1 44 448.639 6 ↓
Mid Mid (pH 6-8) 3.08 12.34 -139.94 3 7 3 47 450.655 6 ↓
Mid Mid (pH 6-8) 3.08 14.05 -174.68 3 7 3 47 450.655 6 ↓
Mid Mid (pH 6-8) 3.08 16.42 -267.38 4 7 4 48 451.663 6 ↓
Mid Mid (pH 6-8) 3.08 13.46 -96.63 2 7 2 46 449.647 6 ↓
Mid Mid (pH 6-8) 3.08 15.54 -84.35 2 7 2 46 449.647 6 ↓

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