UCSF

ZINC00293161

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 Yes

Popular Name: (3,5-Dimethyl-phenyl)-pyridin-4-ylmethyl-amine (3,5-Dimethyl-phenyl)-pyridin-4-…

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CAS Number: 331970-83-3

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) 2.73 6.66 -4.66 1 2 0 25 212.296 3 ↓
Lo Low (pH 4.5-6) 2.73 7.12 -35.6 2 2 1 26 213.304 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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