UCSF

ZINC71589700

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 23 Yes

Popular Name: 5-[2-[2-[5-[(2S)-tetrahydrofuran-2-yl]-2-thienyl]imidazol-1-yl]ethylsulfanyl]-1H-triazole 5-[2-[2-[5-[(2S)-tetrahydrofuran…

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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) 2.67 6.79 -12.25 1 6 0 69 347.469 6 ↓
Hi High (pH 8-9.5) 2.67 6.78 -45.72 0 6 -1 67 346.461 6 ↓
Mid Mid (pH 6-8) 2.67 7.3 -34.01 2 6 1 70 348.477 6 ↓

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

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