UCSF

ZINC54931111

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 14 No

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

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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) 0.18 -0.14 -15.63 1 5 0 72 213.262 1 ↓
Lo Low (pH 4.5-6) 0.18 -0.03 -40.56 2 5 1 73 214.27 1 ↓
Lo Low (pH 4.5-6) 0.18 0.02 -39.81 2 5 1 73 214.27 1 ↓

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

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