UCSF

ZINC01561855

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 14 Yes

Popular Name: EINECS 230-888-7; Guanidine, N,N'''-1,6-hexanediylbis-, dihydrochloride; Guanidine, hexanedi-, dihydrochloride; Hexamethylenediguanidine dihydrochloride; Hexanediguanidine dihydrochloride; LS-73701; N,N'''-1,6-Hexanediylbisguanidine dihydrochloride; NSC 3 EINECS 230-888-7; Guanidine, N,N…

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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) -0.41 2.46 -70.53 10 6 2 127 202.306 9 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50426-5-O Plasmodium Falciparum (isolate K1 / Thailand) (cluster #5 Of 9), Other Other 445 0.64 Functional ≤ 10μM
Z50725-5-O Trypanosoma Brucei Rhodesiense (cluster #5 Of 7), Other Other 8050 0.51 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50426 Z50426 Plasmodium Falciparum (isolate K1 / Thailand) 445 0.64 Functional ≤ 10μM
Z50725 Z50725 Trypanosoma Brucei Rhodesiense 8050 0.51 Functional ≤ 10μM

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