UCSF

ZINC13409386

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 31 No

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

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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) 2.86 7.59 -54.17 2 7 -1 103 409.425 3 ↓
Mid Mid (pH 6-8) 3.31 6.02 -148.67 1 7 -2 106 408.417 3 ↓
Mid Mid (pH 6-8) 3.31 5.75 -150.27 1 7 -2 106 408.417 3 ↓

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

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