UCSF

ZINC13409516

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 25 No

Popular Name: 3-[(4Z)-4-(2-furylmethylene)-5-oxo-1H-pyrazol-3-yl]-4-hydroxy-1-methyl-quinolin-2-one 3-[(4Z)-4-(2-furylmethylene)-5-o…

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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) 1.51 4.04 -144.75 0 7 -2 107 333.303 2 ↓
Mid Mid (pH 6-8) 1.05 5.5 -54.84 1 7 -1 104 334.311 2 ↓
Mid Mid (pH 6-8) 1.05 3.88 -52.15 1 7 -1 104 334.311 2 ↓

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

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