UCSF

ZINC53664443

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 19 Yes

Popular Name: N-[(1-thieno[3,2-d]pyrimidin-4-yl-4-piperidyl)methyl]ethanamine N-[(1-thieno[3,2-d]pyrimidin-4-y…

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) 2.11 7.81 -49.05 2 4 1 46 277.417 4 ↓
Lo Low (pH 4.5-6) 2.11 8.26 -80.96 3 4 2 47 278.425 4 ↓

Activity (Go SEA)

Rings

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

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