UCSF

ZINC04823097

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 18 Yes

Popular Name: 2-[2-(3-pyridyl)vinyl]quinoline 2-[2-(3-pyridyl)vinyl]quinoline

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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) 2.98 7.97 -10.1 0 2 0 26 232.286 2 ↓
Lo Low (pH 4.5-6) 2.98 8.2 -27.35 1 2 1 27 233.294 2 ↓
Lo Low (pH 4.5-6) 2.98 8.26 -29.29 1 2 1 27 233.294 2 ↓
Lo Low (pH 4.5-6) 2.98 8.49 -83.02 2 2 2 28 234.302 2 ↓

Activity (Go SEA)

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