UCSF

ZINC18209728

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 33 Yes

Popular Name: (5S,7S)-5-(2-furyl)-N-(5-methyl-2-phenyl-pyrazol-3-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazol (5S,7S)-5-(2-furyl)-N-(5-methyl-…

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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) 3.45 9.68 -16.01 2 8 0 90 456.428 5 ↓
Hi High (pH 8-9.5) 3.69 8.65 -43.23 2 8 0 101 456.428 5 ↓

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

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