UCSF

ZINC65522352

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 24 Yes

Popular Name: 3-[[[(1S)-indan-1-yl]-methyl-amino]methyl]-4-(2-pyridyl)thiazol-2-one 3-[[[(1S)-indan-1-yl]-methyl-ami…

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) 2.77 8.83 -10.44 0 4 0 38 337.448 4 ↓
Lo Low (pH 4.5-6) 2.77 11.08 -32.82 1 4 1 39 338.456 4 ↓

Activity (Go SEA)

Rings

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

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