UCSF

ZINC70008239

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2011 24 Yes

Popular Name: 2-ethoxy-5-[[4-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)piperazin-1-yl]methyl]-1,3,4-thiadiazole 2-ethoxy-5-[[4-([1,2,4]triazolo[…

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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) 0.65 4.25 -15.36 0 9 0 85 346.42 5 ↓
Lo Low (pH 4.5-6) 0.65 6.48 -64.44 1 9 1 86 347.428 5 ↓

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Rings

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

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