UCSF

ZINC13680982

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 19 Yes

Popular Name: [3-[2-(2-methylthiazol-4-yl)ethynyl]-2-pyridyl] [3-[2-(2-methylthiazol-4-yl)ethy…

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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) 0.73 1.83 -18.3 0 5 0 69 294.357 2 ↓
Lo Low (pH 4.5-6) 0.73 2.74 -43.78 1 5 1 70 295.365 2 ↓

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

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