UCSF

ZINC69143148

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 20 No

Popular Name: 5-[[[(3S)-1,1-dioxothian-3-yl]amino]methyl]-1,3-dimethyl-pyrimidine-2,4-dione 5-[[[(3S)-1,1-dioxothian-3-yl]am…

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) -1.27 1.89 -70.38 2 7 1 95 302.376 3 ↓
Mid Mid (pH 6-8) -1.27 0.69 -26.11 1 7 0 90 301.368 3 ↓

Activity (Go SEA)

Rings

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

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