UCSF

ZINC67755199

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2011 23 No

Popular Name: (5R)-3-isopropyl-N-methyl-N-[(5-methyl-1H-benzimidazol-2-yl)methyl]-4,5-dihydroisoxazole-5-carboxami (5R)-3-isopropyl-N-methyl-N-[(5-…

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) 2.22 7.83 -17.37 1 6 0 71 314.389 4 ↓
Lo Low (pH 4.5-6) 2.22 8.7 -41.41 2 6 1 72 315.397 4 ↓

Activity (Go SEA)

Rings

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

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