UCSF

ZINC13409480

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 27 No

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

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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) 2.48 6.53 -47.56 1 6 -1 91 378.795 2 ↓
Mid Mid (pH 6-8) 2.93 4.48 -132.57 0 6 -2 94 377.787 2 ↓
Mid Mid (pH 6-8) 2.93 5.12 -134.13 0 6 -2 94 377.787 2 ↓

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

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