UCSF

ZINC69976176

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 11 Yes

Popular Name: 1-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopropanamine 1-[(1S,2S,4R)-7-oxabicyclo[2.2.1…

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) 1.02 2.38 -35.89 3 2 1 37 154.233 1 ↓
Hi High (pH 8-9.5) 1.02 1.92 -3.03 2 2 0 35 153.225 1 ↓

Activity (Go SEA)

Rings

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

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