UCSF

ZINC36876674

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 Yes

Popular Name: 2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidine 2-[5-(3-fluorophenyl)-1H-imidazo…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1153269-00-1 , 1803585-19-4

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) 2.49 6.52 -39.39 3 3 1 45 246.309 2 ↓
Ref Reference (pH 7) 2.49 6.5 -37.8 3 3 1 45 246.309 2 ↓
Hi High (pH 8-9.5) 2.49 5.07 -5.67 2 3 0 41 245.301 2 ↓
Hi High (pH 8-9.5) 2.49 5.09 -6.29 2 3 0 41 245.301 2 ↓
Lo Low (pH 4.5-6) 2.49 6.95 -112.86 4 3 2 47 247.317 2 ↓
Lo Low (pH 4.5-6) 2.49 6.98 -113.19 4 3 2 47 247.317 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

Rings

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