UCSF

ZINC29399927

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 47 No

Popular Name: 1-[4,7-bis(7-chloro-4-quinolyl)-1,4,7-triazonan-1-yl]-5-(1,4,7-triazonan-1-yl)pentane-1,5-dione 1-[4,7-bis(7-chloro-4-quinolyl)-…

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Vendors

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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) 3.89 10.37 -169.48 5 10 3 104 680.705 6 ↓
Hi High (pH 8-9.5) 3.89 8.65 -51.63 3 10 1 98 678.689 6 ↓
Hi High (pH 8-9.5) 3.89 9.14 -101.68 4 10 2 99 679.697 6 ↓

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