UCSF

ZINC67740534

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 26 Yes

Popular Name: 4-[4-[[1-(2-methoxyethyl)-4-piperidyl]methyl]piperazin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine 4-[4-[[1-(2-methoxyethyl)-4-pipe…

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) 1.46 10.45 -103.2 3 7 2 63 360.506 6 ↓
Hi High (pH 8-9.5) 1.46 6.23 -9.3 1 7 0 61 358.49 6 ↓
Mid Mid (pH 6-8) 1.46 8.56 -40.07 2 7 1 62 359.498 6 ↓

Activity (Go SEA)

Rings

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

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