UCSF

ZINC24171689

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2009 28 Yes

Popular Name: N-(3-morpholinopropyl)-2-(2-pyridyl)quinoline-4-carboxamide N-(3-morpholinopropyl)-2-(2-pyri…

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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) 2.26 5.39 -11.78 1 6 0 67 376.46 6 ↓
Mid Mid (pH 6-8) 2.33 6.21 -108.76 3 6 2 74 378.476 6 ↓
Mid Mid (pH 6-8) 2.33 6.15 -45.9 2 6 1 72 377.468 6 ↓
Mid Mid (pH 6-8) 2.26 7.67 -48.04 2 6 1 69 377.468 6 ↓
Mid Mid (pH 6-8) 2.33 3.88 -10.84 1 6 0 71 376.46 6 ↓

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