UCSF

ZINC52543776

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 18 Yes

Popular Name: N-[[4-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]thiazol-2-yl]methyl]cyclopropanamine N-[[4-[[(1S,4R)-5-azabicyclo[2.2…

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) 1.46 7.26 -86.26 3 3 2 34 265.426 5 ↓
Hi High (pH 8-9.5) 1.46 3.56 -3.73 1 3 0 28 263.41 5 ↓
Hi High (pH 8-9.5) 1.46 5.96 -30.99 2 3 1 29 264.418 5 ↓

Activity (Go SEA)

Rings

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

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