UCSF

ZINC02029567

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 26 Yes

Popular Name: 1,6-Hexanediamine, N,N'-bis(o-chlorobenzyl)-1,6-dimethyl-, dihydrochloride; Benzylamine, N,N'-(2,7-octamethylene)bis(2-chloro-, dihydrochloride; LS-75023; N,N'-(2,7-Octamethylene)bis(2-chlorobenzylamine) dihydrochloride; N,N'-Bis(o-chlorobenzyl)-1,6-dimet 1,6-Hexanediamine, N,N'-bis(o-ch…

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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) 6.15 13.48 -84.93 4 2 2 33 395.418 11 ↓
Hi High (pH 8-9.5) 6.15 12.41 -32.72 3 2 1 29 394.41 11 ↓

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

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