UCSF

ZINC13281344

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 26 Yes

Popular Name: 1-phenyl-3-(3-pyridyl)benzo[f]quinoline 1-phenyl-3-(3-pyridyl)benzo[f]qu…

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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) 5.95 12.15 -9.24 0 2 0 26 332.406 2 ↓
Lo Low (pH 4.5-6) 5.95 12.38 -29.13 1 2 1 27 333.414 2 ↓
Lo Low (pH 4.5-6) 5.95 12.44 -39.32 1 2 1 27 333.414 2 ↓
Lo Low (pH 4.5-6) 5.95 12.66 -93.99 2 2 2 28 334.422 2 ↓

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

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