UCSF

ZINC50662132

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2010 29 Yes

Popular Name: N-[(3-fluorophenyl)methyl]-2,5-dioxo-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,6,7,8-tetrahydroquinoli N-[(3-fluorophenyl)methyl]-2,5-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) 1.68 8.33 -23.31 1 6 0 79 398.434 5 ↓
Hi High (pH 8-9.5) 2.14 6.3 -57.64 0 6 -1 83 397.426 5 ↓

Activity (Go SEA)

Rings

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

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