UCSF

ZINC63958863

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 26 No

Popular Name: N-[3-(2-pyridyl)-1H-1,2,4-triazol-5-yl]-3-[(5R)-3-(2-thienyl)-4,5-dihydro-1,2,4-oxadiazol-5-yl]propa N-[3-(2-pyridyl)-1H-1,2,4-triazo…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.91 4.49 -59.8 2 9 -1 124 368.402 6 ↓
Mid Mid (pH 6-8) 0.73 5.77 -19.73 3 9 0 117 369.41 6 ↓

Activity (Go SEA)

Rings

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

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