UCSF

ZINC71551636

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 27 Yes

Popular Name: 3-[[(2-amino-6-methyl-pyrimidin-4-yl)amino]methyl]-6-cyclopentyl-2-methoxy-7H-pyrrolo[3,4-b]pyridin- 3-[[(2-amino-6-methyl-pyrimidin-…

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) 1.60 5.89 -34.78 4 8 1 108 369.449 5 ↓
Hi High (pH 8-9.5) 1.60 5.44 -13.88 3 8 0 106 368.441 5 ↓

Activity (Go SEA)

Rings

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

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