UCSF

ZINC01682298

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 19 Yes

Popular Name: N1-(6-Methoxy-8-quinolinyl)-1,4-pentanediamine N1-(6-Methoxy-8-quinolinyl)-1,4-…

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CAS Numbers: 51050-49-8 , 525-61-1 , 63-45-6 , [525-61-1]

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) 1.51 3.64 -45.79 4 4 1 62 260.361 6 ↓
Mid Mid (pH 6-8) 1.51 4.13 -90.39 5 4 2 63 261.369 6 ↓

Vendor Notes

Note Type Comments Provided By
BP 183-186°/1.0 Torr Matrix Scientific
MP 227° Matrix Scientific
MP 46° Matrix Scientific
Warnings IRRITANT Matrix Scientific

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