UCSF

ZINC62966117

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 18 No

Popular Name: 6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]imidazo[2,1-b]thiazole-5-carbaldehyde 6-[(3S)-3-(dimethylamino)pyrroli…

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) 1.44 7.54 -49.85 1 5 1 42 265.362 3 ↓
Mid Mid (pH 6-8) 1.44 5.14 -11.03 0 5 0 41 264.354 3 ↓

Activity (Go SEA)

Rings

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

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