UCSF

ZINC13281352

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 27 Yes

Popular Name: 1-(p-tolyl)-3-(4-pyridyl)benzo[f]quinoline 1-(p-tolyl)-3-(4-pyridyl)benzo[f…

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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) 6.18 12.84 -9.22 0 2 0 26 346.433 2 ↓
Lo Low (pH 4.5-6) 6.18 13.07 -29.73 1 2 1 27 347.441 2 ↓
Lo Low (pH 4.5-6) 6.18 13.12 -38.5 1 2 1 27 347.441 2 ↓
Lo Low (pH 4.5-6) 6.18 13.34 -92.42 2 2 2 28 348.449 2 ↓

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Rings

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

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