UCSF

ZINC00286311

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 15 Yes

Popular Name: (2-Chloro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine (2-Chloro-benzyl)-(tetrahydro-fu…

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CAS Numbers: 1135232-85-7 , 356532-08-6 , [356532-08-6]

Download: MOL2 SDF SMILES Flexibase

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) 2.50 6.07 -33.46 2 2 1 26 226.727 4 ↓
Hi High (pH 8-9.5) 2.50 4.62 -4.05 1 2 0 21 225.719 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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