UCSF

ZINC58324246

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 22 Yes

Popular Name: 2-methyl-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-1-piperazin-1-yl-propan-1-one 2-methyl-2-[(6-methylthieno[2,3-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.96 6.77 -57.77 3 6 1 75 320.442 3 ↓
Mid Mid (pH 6-8) 0.96 5.47 -9.36 2 6 0 70 319.434 3 ↓

Activity (Go SEA)

Rings

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

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