UCSF

ZINC53629574

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 33 No

Popular Name: (2R)-5-(4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-7-(1,1,2,2,2-pentafluoroethyl)-1,2-dihydropyra (2R)-5-(4-fluorophenyl)-N-[2-(1H…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.01 9.17 -86.57 5 7 2 90 472.393 7 ↓
Mid Mid (pH 6-8) 3.01 8.71 -43.75 4 7 1 89 471.385 7 ↓

Activity (Go SEA)

Rings

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

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