UCSF

ZINC39265178

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 20 Yes

Popular Name: 4-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)butanenitrile 4-(4-thieno[2,3-d]pyrimidin-4-yl…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.14 9.01 -56.16 1 5 1 57 288.4 4 ↓
Mid Mid (pH 6-8) 1.14 6.78 -12.31 0 5 0 56 287.392 4 ↓

Activity (Go SEA)

Rings

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