UCSF

ZINC48984986

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 28 Yes

Popular Name: (2S,3S)-N-[3-(2,3-dihydroimidazo[2,1-b]thiazol-6-yl)phenyl]-3-methyl-2,3-dihydro-1,4-benzodioxine-2- (2S,3S)-N-[3-(2,3-dihydroimidazo…

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) 3.11 10.44 -21.63 1 6 0 65 393.468 3 ↓
Lo Low (pH 4.5-6) 3.11 10.88 -43.07 2 6 1 67 394.476 3 ↓

Activity (Go SEA)

Rings

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

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