UCSF

ZINC65529418

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 22 Yes

Popular Name: N-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)-2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]acetamide N-(1-ethyl-3,5-dimethyl-pyrazol-…

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) 1.16 2.75 -19.67 1 7 0 76 322.438 6 ↓
Mid Mid (pH 6-8) 1.16 5 -61.27 2 7 1 77 323.446 6 ↓

Activity (Go SEA)

Rings

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

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