UCSF

ZINC37295660

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 No

Popular Name: 2-(1,1-dioxo-1$l^{6}-thiolan-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid 2-(1,1-dioxo-1$l^{6}-thiolan-3-y…

Find On: PubMed — Wikipedia — Google

CAS Number: 1097046-53-1

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) 0.93 3.1 -49.89 0 7 -1 113 308.291 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 239 - 241 Enamine Building Blocks
MP 239...241 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

Rings

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

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