UCSF

ZINC13680999

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 14 Yes

Popular Name: 3-[2-(2-methyloxazol-4-yl)ethynyl]pyridine 3-[2-(2-methyloxazol-4-yl)ethyny…

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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) 0.88 3.2 -10.26 0 3 0 39 184.198 0 ↓
Lo Low (pH 4.5-6) 0.88 3.47 -38.81 1 3 1 40 185.206 0 ↓

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Rings

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

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