UCSF

ZINC29230697

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 35 No

Popular Name: LS-142408; Quinolinium, 1-methyl-4-(p-((p-((1-methylpyridinium-4-yl)amino)phenyl)carbamoyl)anilino)-, dibromide; SN 6999 LS-142408; Quinolinium, 1-methyl…

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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) -3.83 13.65 -76 3 6 2 61 461.569 6 ↓
Hi High (pH 8-9.5) 0.94 13.24 -57.79 2 6 1 62 460.561 5 ↓

Activity (Go SEA)

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