UCSF

ZINC35133894

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 19 Yes

Popular Name: 2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methylamino]-N-propyl-acetamide 2-[(4-oxo-3H-thieno[3,2-d]pyrimi…

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) 0.89 0.38 -33.45 3 6 0 87 280.353 6 ↓
Hi High (pH 8-9.5) 1.35 -1.7 -56.6 2 6 -1 90 279.345 6 ↓
Mid Mid (pH 6-8) 0.89 2.29 -62.05 4 6 1 91 281.361 6 ↓

Activity (Go SEA)

Rings

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

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