UCSF

ZINC49515017

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 21 Yes

Popular Name: 5-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]-1,3-dimethyl-pyrimidine-2,4-dione 5-[[[(1R)-1-(4-bromophenyl)ethyl…

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) 1.71 7.68 -56.11 2 5 1 61 353.24 4 ↓
Mid Mid (pH 6-8) 1.71 6.58 -12.08 1 5 0 56 352.232 4 ↓

Activity (Go SEA)

Rings

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

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