UCSF

ZINC17976143

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 26 No

Popular Name: 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl benzoate 4-(1,3-dioxooctahydro-2H-isoindo…

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD01363071

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) 4.57 11.44 -10.97 0 5 0 64 349.386 4 ↓
Ref Reference (pH 7) 4.57 11.45 -11.03 0 5 0 64 349.386 4 ↓

Activity (Go SEA)

Rings

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

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