UCSF

ZINC06444666

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2006 29 No

Popular Name: 5-(4-fluorophenyl)-4-[(4-fluorophenyl)-hydroxy-methylene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-pyrroli 5-(4-fluorophenyl)-4-[(4-fluorop…

Find On: PubMed — Wikipedia — Google

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) 2.83 9.17 -48.69 0 6 -1 86 412.397 4 ↓
Mid Mid (pH 6-8) 2.25 9.91 -16.9 0 6 0 80 413.405 4 ↓
Mid Mid (pH 6-8) 3.28 8.66 -18.33 1 6 0 83 413.405 3 ↓

Activity (Go SEA)

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