UCSF

ZINC54931022

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 13 No

Popular Name: 6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine 6,6-dioxo-7,8-dihydro-5H-thiopyr…

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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) -0.19 -1.04 -15.8 2 5 0 86 199.235 0 ↓
Lo Low (pH 4.5-6) -0.19 -0.88 -42.04 3 5 1 87 200.243 0 ↓
Lo Low (pH 4.5-6) -0.19 -0.93 -41.88 3 5 1 87 200.243 0 ↓

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Rings

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

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