UCSF

ZINC00360345

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2005 16 Yes

Popular Name: (4-Fluorobenzyl)(pyridin-4-ylmethyl)amine (4-Fluorobenzyl)(pyridin-4-ylmet…

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CAS Number: 869945-23-3

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) 1.77 6.58 -54.18 2 2 1 29 217.267 4 ↓
Lo Low (pH 4.5-6) 1.77 6.86 -111.7 3 2 2 31 218.275 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.