UCSF

ZINC09421830

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 19 No

Popular Name: 2,2-dioxo-4-(2-thienylmethylene)-2$l^{6}-thia-3-azabicyclo[4.4.0]deca-7,9,11-trien-5-one 2,2-dioxo-4-(2-thienylmethylene)…

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) 2.52 4.08 -11 1 4 0 63 291.353 1 ↓
Hi High (pH 8-9.5) 2.52 -3.84 -41.43 0 4 -1 65 290.345 1 ↓

Activity (Go SEA)

Rings

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

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