UCSF

ZINC00139443

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 Yes

Popular Name: 4-chloro-N-(pyridin-3-ylmethyl)aniline 4-chloro-N-(pyridin-3-ylmethyl)a…

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CAS Number: 29083-43-0

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) 2.64 5.83 -4.81 1 2 0 25 218.687 3 ↓
Lo Low (pH 4.5-6) 2.64 6.29 -37.32 2 2 1 26 219.695 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
MP 98 - 100 Enamine Building Blocks
MP 98...100 Enamine Building Blocks

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