UCSF

ZINC13428125

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 34 Yes

Popular Name: 8-[[(3R)-1-oxo-3-phenyl-isochroman-6-carbonyl]amino]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic 8-[[(3R)-1-oxo-3-phenyl-isochrom…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.01 11.13 -51.14 1 8 -1 114 458.446 4 ↓

Activity (Go SEA)

Rings

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

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