UCSF

ZINC52922815

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 26 Yes

Popular Name: 2-[[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-propyl-amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-o 2-[[[(3R)-2,3-dihydro-1,4-benzod…

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) 2.68 6.49 -16.31 1 6 0 67 371.462 6 ↓
Mid Mid (pH 6-8) 2.68 8.75 -55.2 2 6 1 69 372.47 6 ↓

Activity (Go SEA)

Rings

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

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