UCSF

ZINC65314366

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 29 Yes

Popular Name: 2-[methyl-[3-methyl-1-(p-tolyl)pyrazolo[3,4-d]thiazol-5-yl]amino]-N-(2-pyridylmethyl)acetamide 2-[methyl-[3-methyl-1-(p-tolyl)p…

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) 2.93 10.05 -19.97 1 7 0 76 406.515 6 ↓
Lo Low (pH 4.5-6) 2.93 10.46 -34.23 2 7 1 77 407.523 6 ↓
Lo Low (pH 4.5-6) 2.93 10.87 -83.96 3 7 2 78 408.531 6 ↓

Activity (Go SEA)

Rings

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

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