UCSF

ZINC38574989

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 31 Yes

Popular Name: 2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2 2-[[3-(4-ethoxyphenyl)-[1,2,4]tr…

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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) 3.84 10.1 -23.22 1 9 0 107 455.569 9 ↓
Hi High (pH 8-9.5) 4.02 8.89 -50.78 0 9 -1 114 454.561 9 ↓

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

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