UCSF

ZINC37181176

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 18 Yes

Popular Name: 7-(cyclobutylmethyl)-2,5,6-trimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-(cyclobutylmethyl)-2,5,6-trime…

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) 1.96 8.1 -9.66 2 4 0 57 244.342 2 ↓
Lo Low (pH 4.5-6) 1.96 8.53 -24.53 3 4 1 58 245.35 2 ↓

Activity (Go SEA)

Rings

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

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