UCSF

ZINC13280579

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 25 Yes

Popular Name: 3-[3-[2-[(3,5-difluorophenyl)amino]-2-oxo-ethyl]sulfanyl-5-oxo-4H-1,2,4-triazin-6-yl]propanoic 3-[3-[2-[(3,5-difluorophenyl)ami…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.51 2.85 -106.9 1 8 -2 131 368.321 7 ↓
Lo Low (pH 4.5-6) 1.06 4.33 -53.71 2 8 -1 128 369.329 7 ↓

Activity (Go SEA)

Rings

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

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