UCSF

ZINC00792251

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 14 Yes

Popular Name: Furan-2-ylmethyl-pyridin-4-ylmethyl-amine Furan-2-ylmethyl-pyridin-4-ylmet…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 436086-98-5 , [436086-98-5]

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) 0.86 4.64 -47.37 2 3 1 43 189.238 4 ↓
Lo Low (pH 4.5-6) 0.86 4.92 -102.58 3 3 2 44 190.246 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.