UCSF

ZINC63958620

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 27 Yes

Popular Name: 3-methyl-N-[[2-[(2R)-2-methyl-1,2-dihydroimidazol-3-yl]-4-pyridyl]methyl]-4-oxo-1,5,6,7-tetrahydroin 3-methyl-N-[[2-[(2R)-2-methyl-1,…

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) 1.56 5.98 -49.82 3 7 1 92 366.445 4 ↓
Mid Mid (pH 6-8) 1.56 5.27 -19.25 2 7 0 90 365.437 4 ↓

Activity (Go SEA)

Rings

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

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