UCSF

ZINC63958868

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 27 No

Popular Name: 3-(4-oxo-1,2-dihydro-1,2,3-benzotriazin-3-yl)-N-[3-(2-pyridyl)-1H-1,2,4-triazol-5-yl]propanamide 3-(4-oxo-1,2-dihydro-1,2,3-benzo…

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) 0.94 4.91 -61.98 3 10 -1 143 363.361 5 ↓
Mid Mid (pH 6-8) 0.76 6.19 -19.75 4 10 0 137 364.369 5 ↓

Activity (Go SEA)

Rings

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

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