UCSF

ZINC37716320

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 19 Yes

Popular Name: 1-piperazin-1-yl-2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanone 1-piperazin-1-yl-2-(thieno[3,2-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) -0.07 3.62 -52.71 3 6 1 75 278.361 3 ↓
Mid Mid (pH 6-8) -0.07 2.32 -10.51 2 6 0 70 277.353 3 ↓

Activity (Go SEA)

Rings

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

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