UCSF

ZINC65536758

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 24 No

Popular Name: N-[(1S)-1-[(6R,7aR)-5,6,7,7a-tetrahydroimidazo[2,1-b]thiazol-6-yl]ethyl]-5-(1-methylpyrrol-2-yl)-4H- N-[(1S)-1-[(6R,7aR)-5,6,7,7a-tet…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -3.58 3.68 -45.31 2 7 1 74 345.452 4 ↓
Hi High (pH 8-9.5) 0.39 2.9 -13.46 2 7 0 74 344.444 4 ↓

Activity (Go SEA)

Rings

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

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