UCSF

ZINC21715193

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 23 Yes

Popular Name: 2-(3-morpholinopropylamino)quinoline-4-carboxylic 2-(3-morpholinopropylamino)quino…

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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) 2.09 4.57 -52.69 2 6 0 79 315.373 6 ↓
Mid Mid (pH 6-8) 2.09 6.91 -98.71 3 6 1 80 316.381 6 ↓
Mid Mid (pH 6-8) 2.09 4.12 -51.8 1 6 -1 78 314.365 6 ↓
Mid Mid (pH 6-8) 2.09 6.45 -73.58 2 6 0 79 315.373 6 ↓

Activity (Go SEA)

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