UCSF

ZINC69942574

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 16 Yes

Popular Name: 4-[2-(m-tolyl)ethyl]pyridin-2-amine 4-[2-(m-tolyl)ethyl]pyridin-2-amine

Find On: PubMed — Wikipedia — Google

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) 2.88 7.85 -31.34 3 2 1 40 213.304 3 ↓
Mid Mid (pH 6-8) 2.88 7.38 -5.31 2 2 0 39 212.296 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5849736; US6114328; WO1996038426A1 IBM Patent Data

Activity (Go SEA)

Rings

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

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