UCSF

ZINC23029219

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 33 Yes

Popular Name: N-(1,7-dimethyl-4-oxo-3H-furo[4,3-d]pyridazin-5-yl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl] N-(1,7-dimethyl-4-oxo-3H-furo[4,…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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) 1.87 3.03 -20.22 2 10 0 129 473.555 5 ↓
Hi High (pH 8-9.5) 2.33 2.33 -57.47 1 10 -1 132 472.547 5 ↓
Mid Mid (pH 6-8) 2.33 4.54 -76.85 2 10 0 133 473.555 5 ↓

Activity (Go SEA)

Rings

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

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