UCSF

ZINC69700392

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 24 Yes

Popular Name: 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-methyl-amino]-N-(4-methyl-2-pyridyl)acetamid 2-[[4-amino-6-(dimethylamino)-1,…

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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) 0.65 7.2 -19.73 3 9 0 113 330.396 6 ↓
Lo Low (pH 4.5-6) 0.65 7.56 -38.72 4 9 1 114 331.404 6 ↓
Lo Low (pH 4.5-6) 0.65 7.7 -40.02 4 9 1 114 331.404 6 ↓
Lo Low (pH 4.5-6) 0.65 9.54 -47.07 4 9 1 114 331.404 6 ↓

Activity (Go SEA)

Rings

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

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