UCSF

ZINC31475892

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Substance Information

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

Popular Name: LS-142224; Quinolinium, 6-amino-4-((4-(((4-((((aminoiminomethyl)amino)iminomethyl)amino)phenyl)amino)carbonyl)phenyl)amino)-1-methyl-; SN 13538 LS-142224; Quinolinium, 6-amino-…

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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) -1.76 9.1 -82.81 10 10 2 159 469.553 8 ↓
Hi High (pH 8-9.5) -1.76 9.14 -43.22 9 10 1 157 468.545 8 ↓
Hi High (pH 8-9.5) -1.76 9.05 -43.62 9 10 1 157 468.545 8 ↓
Mid Mid (pH 6-8) -1.76 9.24 -79.75 10 10 2 159 469.553 8 ↓
Mid Mid (pH 6-8) -1.76 9.14 -76.89 10 10 2 159 469.553 8 ↓
Lo Low (pH 4.5-6) -1.76 9.19 -153.47 11 10 3 161 470.561 8 ↓

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