UCSF

ZINC61380317

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 20 Yes

Popular Name: 7-[2-[2-methoxyethyl(methyl)amino]ethyl]-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-[2-[2-methoxyethyl(methyl)amin…

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) 0.84 7.22 -39.42 3 6 1 70 278.38 6 ↓
Mid Mid (pH 6-8) 0.84 4.81 -9.21 2 6 0 69 277.372 6 ↓

Activity (Go SEA)

Rings

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

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