UCSF

ZINC22780600

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 33 Yes

Popular Name: 2-[4-[[4-amino-6-(o-tolylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamid 2-[4-[[4-amino-6-(o-tolylamino)-…

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) 2.95 11.68 -41.76 5 9 1 113 451.53 7 ↓
Hi High (pH 8-9.5) 2.95 8.99 -18.82 4 9 0 112 450.522 7 ↓
Lo Low (pH 4.5-6) 2.95 11.63 -103.56 6 9 2 115 452.538 7 ↓

Activity (Go SEA)

Rings

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

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