UCSF

ZINC01301187

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 14 Yes

Popular Name: [4-(Pyridin-2-ylmethyl)phenyl]amine dihydrochloride [4-(Pyridin-2-ylmethyl)phenyl]am…

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CAS Numbers: , 58498-12-7

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) 1.80 5.03 -5.86 2 2 0 39 184.242 2 ↓
Lo Low (pH 4.5-6) 1.80 5.4 -31.15 3 2 1 40 185.25 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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