UCSF

ZINC58324254

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 23 Yes

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

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) 1.14 6.04 -53.54 3 6 1 75 334.469 4 ↓
Mid Mid (pH 6-8) 1.14 4.79 -9.78 2 6 0 70 333.461 4 ↓

Activity (Go SEA)

Rings

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

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