UCSF

ZINC13272774

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 36 Yes

Popular Name: (4E)-4-[[2-(acetyl-ethyl-amino)thiazol-4-yl]methylene]-2-benzyl-1,3-dihydropyrido[4,3-b]quinoline-10 (4E)-4-[[2-(acetyl-ethyl-amino)t…

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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) 4.21 13.8 -70.84 0 7 -1 89 497.6 6 ↓
Lo Low (pH 4.5-6) 4.21 14.08 -53.5 1 7 0 91 498.608 6 ↓
Lo Low (pH 4.5-6) 4.21 16.34 -67.19 2 7 1 92 499.616 6 ↓

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

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