UCSF

ZINC55466510

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Substance Information

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

Popular Name: N-(2-methyl-4-quinolyl)-2-pyrrolidin-1-yl-acetamide N-(2-methyl-4-quinolyl)-2-pyrrol…

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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) 2.40 6.5 -32.98 2 4 1 50 270.356 2 ↓
Hi High (pH 8-9.5) 2.40 4.13 -16.62 1 4 0 48 269.348 2 ↓
Lo Low (pH 4.5-6) 2.40 7.49 -85.84 3 4 2 51 271.364 2 ↓

Vendor Notes

Note Type Comments Provided By
mp 260 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

Rings

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