UCSF

ZINC57985168

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 24 Yes

Popular Name: 1-(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3 1-(5-methyl-6,7-dihydro-4H-thiaz…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.90 1.61 -10.48 2 6 0 60 363.409 4 ↓
Mid Mid (pH 6-8) 1.90 4.34 -48.93 3 6 1 62 364.417 4 ↓
Lo Low (pH 4.5-6) 1.90 6.77 -96.88 4 6 2 63 365.425 4 ↓

Activity (Go SEA)

Rings

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

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