UCSF

ZINC16124295

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2008 12 Yes

Popular Name: Imidazo[1,2-a]pyridine-7-carboxylic acid Imidazo[1,2-a]pyridine-7-carboxy…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1423031-35-9 , 648423-85-2 , [648423-85-2]

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) 1.16 4.66 -51.23 0 4 -1 57 161.14 1 ↓
Mid Mid (pH 6-8) 1.16 5.15 -52.15 1 4 0 59 162.148 1 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 295 - 296 (Dec) KeyOrganics
MP 295-296°(dec) Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity >95% Matrix Scientific
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P304 + P340: IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing; P305 + P35 Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
Hazard XI: Irritant Acros Organics

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

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