UCSF

ZINC04500002

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 23 No

Popular Name: 9-[(4-dimethylaminophenyl)methylene]-7,7-dioxo-7$l^{6}-thia-8-azabicyclo[4.4.0]deca-2,4,11-trien-10- 9-[(4-dimethylaminophenyl)methyl…

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) 2.90 -3.87 -13.22 1 5 0 66 328.393 2 ↓

Activity (Go SEA)

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