UCSF

ZINC13262120

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 31 Yes

Popular Name: 5-[[(1S)-1-(carboxymethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]-2-fluoro-benzoic 5-[[(1S)-1-(carboxymethyl)-6,7-d…

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) 1.63 6.41 -114.22 0 9 -2 136 451.428 7 ↓

Activity (Go SEA)

Rings

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

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