UCSF

ZINC55466513

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2010 20 Yes

Popular Name: 2-(diethylamino)-N-(2-methyl-4-quinolyl)acetamide 2-(diethylamino)-N-(2-methyl-4-q…

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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) 2.75 6.67 -32.25 2 4 1 50 272.372 4 ↓
Hi High (pH 8-9.5) 2.75 4.67 -16.14 1 4 0 48 271.364 4 ↓
Lo Low (pH 4.5-6) 2.75 7.66 -84.02 3 4 2 51 273.38 4 ↓

Vendor Notes

Note Type Comments Provided By
mp 240 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

Rings

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

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