UCSF

ZINC69130257

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 37 Yes

Popular Name: (4E)-2-ethyl-4-[[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methylene]-1,3-dihydrobenzo[b][1,6]naphthyridine (4E)-2-ethyl-4-[[1-phenyl-3-(3-p…

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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) 4.31 15.24 -57.96 1 7 0 88 487.563 5 ↓
Mid Mid (pH 6-8) 4.31 12.97 -61.32 0 7 -1 87 486.555 5 ↓
Lo Low (pH 4.5-6) 4.31 15.74 -92.7 2 7 1 89 488.571 5 ↓

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

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