UCSF

ZINC12213365

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 24 Yes

Popular Name: 2-(9-thia-4-azabicyclo[4.3.0]nona-7,10-dien-4-ylcarbonylmethyl)-3H-phthalazine-1,4-dione 2-(9-thia-4-azabicyclo[4.3.0]non…

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) 1.31 -3.04 -16.24 1 6 0 75 341.392 2 ↓

Activity (Go SEA)

Rings

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

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