UCSF

ZINC40447398

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 24 No

Popular Name: (3R)-N-[(1S,2R)-2-chloro-1-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl] (3R)-N-[(1S,2R)-2-chloro-1-[(2R,…

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) -0.58 -0.89 -49.68 6 7 1 116 383.918 5 ↓

Activity (Go SEA)

Rings

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

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