UCSF

ZINC66066072

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 28 No

Popular Name: 2-[4-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]-6-(4-methoxyphenyl)-4,5-dihydropyridazin-3-one 2-[4-(4-chlorophenyl)-5-thioxo-1…

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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) 3.83 12.5 -59.36 0 7 -1 73 412.882 4 ↓
Lo Low (pH 4.5-6) 3.11 13.13 -16.8 1 7 0 76 413.89 4 ↓

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

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