UCSF

ZINC13011211

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 27 Yes

Popular Name: N-(3,5-dichlorophenyl)-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl-propyl-amino]acetamide N-(3,5-dichlorophenyl)-2-[(4-oxo…

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) 3.99 9.01 -57.87 3 6 1 79 426.349 7 ↓
Hi High (pH 8-9.5) 4.26 5.25 -61.65 1 6 -1 89 424.333 7 ↓
Mid Mid (pH 6-8) 3.99 6.95 -18.32 2 6 0 78 425.341 7 ↓

Activity (Go SEA)

Rings

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

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