UCSF

ZINC69698081

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 22 Yes

Popular Name: 2-[(3R)-4-(2-ethoxyethyl)-3-ethyl-piperazin-1-yl]-6-methyl-imidazo[2,1-b][1,3,4]thiadiazole 2-[(3R)-4-(2-ethoxyethyl)-3-ethy…

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) 2.26 7.46 -9.26 0 6 0 46 323.466 6 ↓
Mid Mid (pH 6-8) 2.26 9.04 -47.07 1 6 1 47 324.474 6 ↓
Lo Low (pH 4.5-6) 2.26 9.5 -78.6 2 6 2 48 325.482 6 ↓

Activity (Go SEA)

Rings

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

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