UCSF

ZINC59816394

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 26 No

Popular Name: 2-[(6S)-2-ethyl-5-oxo-1,6-dihydroimidazo[2,1-e][1,2,4]triazol-6-yl]-N-(2-methoxy-4-nitro-phenyl)acet 2-[(6S)-2-ethyl-5-oxo-1,6-dihydr…

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) 1.49 6.28 -27.87 3 11 0 154 360.33 6 ↓
Mid Mid (pH 6-8) 1.49 5.16 -63.59 2 11 -1 153 359.322 6 ↓
Mid Mid (pH 6-8) 1.49 4.4 -21.38 3 11 0 150 360.33 6 ↓

Activity (Go SEA)

Rings

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

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