UCSF

ZINC58314600

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 24 Yes

Popular Name: 2-(2-methoxyethylsulfanyl)-5,6-dimethyl-3-(2-pyridylmethyl)thieno[2,3-d]pyrimidin-4-one 2-(2-methoxyethylsulfanyl)-5,6-d…

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) 2.74 8.03 -15.28 0 5 0 57 361.492 6 ↓
Lo Low (pH 4.5-6) 2.74 8.72 -37.26 1 5 1 58 362.5 6 ↓

Activity (Go SEA)

Rings

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

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