UCSF

ZINC67630460

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2011 26 Yes

Popular Name: (3S,5R)-5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,2,6-thiadiazi (3S,5R)-5-(4-methoxyphenyl)-2-me…

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) 0.72 0.23 -14.43 2 8 0 97 383.47 5 ↓
Mid Mid (pH 6-8) 0.72 -0.08 -45.56 1 8 -1 99 382.462 5 ↓

Activity (Go SEA)

Rings

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

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