UCSF

ZINC61366043

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 2,5,6-trimethyl-7-[(1R)-1-(3-thienyl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine 2,5,6-trimethyl-7-[(1R)-1-(3-thi…

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) 2.46 8.82 -9.08 2 4 0 57 286.404 2 ↓
Lo Low (pH 4.5-6) 2.46 9.04 -24.89 3 4 1 58 287.412 2 ↓

Activity (Go SEA)

Rings

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

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