UCSF

ZINC04857037

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2006 19 Yes

Popular Name: 3-[(1,2,3,4-tetrahydroquinolin-1-yl)carbonyl]aniline 3-[(1,2,3,4-tetrahydroquinolin-1…

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CAS Number: 137975-41-8

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) 2.63 -1.15 -10.6 2 3 0 46 252.317 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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