UCSF

ZINC19371400

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 16 Yes

Popular Name: Phenethyl-pyridin-2-ylmethyl-amine Phenethyl-pyridin-2-ylmethyl-amine

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CAS Numbers: 418776-49-5 , [418776-49-5]

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) 2.13 5.78 -4.5 1 2 0 25 212.296 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 183-185° Matrix Scientific
Warnings IRRITANT Matrix Scientific

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