UCSF

ZINC04736842

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 23 No

Popular Name: 2-(4-fluorophenyl)-5-methyl-4-[1-(tetrahydrofuran-2-ylmethylamino)ethylidene]pyrazol-3-one 2-(4-fluorophenyl)-5-methyl-4-[1…

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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) 2.02 6.69 -14.96 1 5 0 56 317.364 4 ↓
Mid Mid (pH 6-8) 2.73 -1.32 -41.09 1 5 1 55 318.372 4 ↓

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

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