UCSF

ZINC62962625

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 16 No

Popular Name: [(3S)-3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-1,1-dioxo-thiolan-3-yl]methanamine [(3S)-3-[(1R,4S)-2-azabicyclo[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) -0.37 -0.88 -60.94 3 4 1 65 245.368 2 ↓
Mid Mid (pH 6-8) -0.37 1.24 -136.64 4 4 2 66 246.376 2 ↓
Mid Mid (pH 6-8) -0.37 -0.67 -11.24 2 4 0 63 244.36 2 ↓
Mid Mid (pH 6-8) -0.37 1.45 -44.85 3 4 1 65 245.368 2 ↓

Activity (Go SEA)

Rings

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

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