UCSF

ZINC49399508

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 29 Yes

Popular Name: 3-[6-(p-tolyl)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]-N-[2-(2-pyridyl)ethyl]propanamide 3-[6-(p-tolyl)-[1,2,4]triazolo[3…

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) 2.67 9.91 -19.81 1 7 0 85 386.459 7 ↓
Lo Low (pH 4.5-6) 2.67 10.26 -45.18 2 7 1 86 387.467 7 ↓

Activity (Go SEA)

Rings

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

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