UCSF

ZINC35016559

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 27 No

Popular Name: [5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-thienyl]methyl [5-[1-methyl-5-(trifluoromethyl)…

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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) 3.83 8.72 -12.85 2 6 0 68 416.45 6 ↓
Hi High (pH 8-9.5) 3.08 7.64 -35.32 1 6 -1 75 415.442 5 ↓

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

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