UCSF

ZINC12538222

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 25 Yes

Popular Name: 2-(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide 2-(4-amino-5,6-dimethyl-thieno[2…

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) 3.81 6.23 -15.84 3 6 0 90 374.491 5 ↓
Lo Low (pH 4.5-6) 3.81 6.57 -30.14 4 6 1 91 375.499 5 ↓
Lo Low (pH 4.5-6) 3.81 3.25 -36.59 4 6 1 91 375.499 5 ↓

Activity (Go SEA)

Rings

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

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