UCSF

ZINC55104401

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 19 Yes

Popular Name: 6-ethyl-5-methyl-2-(3-pyridyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one 6-ethyl-5-methyl-2-(3-pyridyl)-4…

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) 2.07 6.06 -50.25 0 6 -1 79 254.273 2 ↓
Lo Low (pH 4.5-6) 1.62 7.43 -21.57 1 6 0 76 255.281 2 ↓
Lo Low (pH 4.5-6) 1.62 7.49 -53.49 1 6 0 76 255.281 2 ↓

Activity (Go SEA)

Rings

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

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