UCSF

ZINC36601599

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2009 28 No

Popular Name: (7E)-3-[(3R)-1,1-dioxothiolan-3-yl]-9-methyl-7-(2-thienylmethylene)-2,4-dihydrofuro[3,2-g][1,3]benzo (7E)-3-[(3R)-1,1-dioxothiolan-3-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.64 7.07 -68.13 1 6 1 78 418.516 2 ↓
Mid Mid (pH 6-8) 2.64 3.98 -18.35 0 6 0 77 417.508 2 ↓

Activity (Go SEA)

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