UCSF

ZINC63952215

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 27 No

Popular Name: N-[[5-(4-fluorophenyl)-3H-pyrazol-4-yl]methyl]-1-[6-[(2R)-2-methyl-1,2-dihydroimidazol-3-yl]-3-pyrid N-[[5-(4-fluorophenyl)-3H-pyrazo…

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) 2.46 4.83 -41.79 2 6 1 66 365.436 6 ↓
Mid Mid (pH 6-8) 2.46 4.36 -11.54 1 6 0 65 364.428 6 ↓
Mid Mid (pH 6-8) 2.46 5.4 -60.31 2 6 1 70 365.436 6 ↓
Mid Mid (pH 6-8) 2.46 5.86 -122.7 3 6 2 71 366.444 6 ↓

Activity (Go SEA)

Rings

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

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