UCSF

ZINC23038673

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 29 Yes

Popular Name: 2-[[(1S)-1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl]-methyl-amino]-N-(2-bromophenyl)acetamide 2-[[(1S)-1-(4-amino-6-anilino-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) 3.82 12.31 -42.31 5 8 1 110 457.356 7 ↓
Hi High (pH 8-9.5) 3.82 9.97 -14.82 4 8 0 109 456.348 7 ↓

Activity (Go SEA)

Rings

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

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