UCSF

ZINC63941666

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 25 No

Popular Name: 4-[(2R)-2-methylsulfanyl-1,2-dihydroimidazol-3-yl]-N-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]benz 4-[(2R)-2-methylsulfanyl-1,2-dih…

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) 1.92 6.03 -49.18 1 7 -1 85 369.352 5 ↓

Activity (Go SEA)

Rings

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

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