UCSF

ZINC00798244

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 14 Yes

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

Find On: PubMed — Wikipedia — Google

CAS Numbers: 4329-81-1 , 59575-91-6 , [4329-81-1]

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) 2.02 5.27 -4.95 1 2 0 25 184.242 3 ↓
Lo Low (pH 4.5-6) 2.02 5.67 -32.95 2 2 1 26 185.25 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 155-156°/4 Torr Matrix Scientific
MP 50-53° Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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