UCSF

ZINC06117228

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2006 28 Yes

Popular Name: (trans)-1,4-Bis(1,2,3,4-tetrahydroisoquinolylmethyl)cyclohexane dihydrochloride; Cyclohexane, 1,4-bis(1,2,3,4-tetrahydroisoquinolylmethyl)-, dihydrochloride, (E)-; LS-56499 (trans)-1,4-Bis(1,2,3,4-tetrahyd…

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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) 4.84 16.75 -93 2 2 2 9 376.588 4 ↓
Hi High (pH 8-9.5) 4.84 12.85 -4.08 0 2 0 6 374.572 4 ↓
Mid Mid (pH 6-8) 4.84 14.77 -38.96 1 2 1 8 375.58 4 ↓

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