UCSF

ZINC61700877

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2011 17 Yes

Popular Name: 4-methyl-N1-phenethyl-benzene-1,3-diamine 4-methyl-N1-phenethyl-benzene-1,…

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) 3.46 6.53 -4.39 3 2 0 38 226.323 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0375318A2; US5010161 IBM Patent Data

Activity (Go SEA)

Rings

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

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