UCSF

ZINC19735310

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 18 Yes

Popular Name: (2-Chloro-benzyl)-(3-morpholin-4-yl-propyl)-amine (2-Chloro-benzyl)-(3-morpholin-4…

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CAS Numbers: 107922-87-2 , [107922-87-2]

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) 2.27 4.99 -40.61 2 3 1 29 269.796 6 ↓
Hi High (pH 8-9.5) 2.27 3.57 -3.78 1 3 0 24 268.788 6 ↓

Vendor Notes

Note Type Comments Provided By
BP 192°/2 Torr Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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