UCSF

ZINC05847081

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 26 Yes

Popular Name: 1,4-Cyclohexanediamine, N,N'-bis(o-chlorophenethyl)-, diacetate; LS-56764; N,N'-(1,4-Cyclohexylene)bis(2-chlorophenethylamine) diacetate; N,N'-Bis(2-chlorophenethyl)-1,4-cyclohexanediamine diacetate; Phenethylamine, N,N'-(1,4-cyclohexylene)bis(2-chloro-, 1,4-Cyclohexanediamine, N,N'-bis…

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Annotations

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) 5.67 13.03 -106.89 4 2 2 33 393.402 8 ↓
Hi High (pH 8-9.5) 5.67 12.21 -38.72 3 2 1 29 392.394 8 ↓

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