UCSF

ZINC06095322

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 26 Yes

Popular Name: 1,3-Cyclohexanebis(methylamine), N,N'-bis(2-chlorobenzyl)-, dimaleate; 1,3-Cyclohexanedimethanamine, N,N'-bis((2-chlorophenyl)methyl)-, (Z)-2-butenedioate (1:2); Benzylamine, N,N'-(1,3-cyclohexylene)bis(2-chloro-, dimaleate; LS-56446; N,N'-(1,3-Cyclohexyl 1,3-Cyclohexanebis(methylamine),…

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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) 5.86 12.95 -98.75 4 2 2 33 393.402 8 ↓
Hi High (pH 8-9.5) 5.86 11.57 -39.78 3 2 1 29 392.394 8 ↓

Activity (Go SEA)

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

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