UCSF

ZINC67983123

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2011 17 Yes

Popular Name: 4-[(1S,6R)-9-methyl-4,9-diazabicyclo[4.2.1]nonan-4-yl]pyrimidin-2-amine 4-[(1S,6R)-9-methyl-4,9-diazabic…

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) 0.58 7.06 -35.09 3 5 1 59 234.327 1 ↓
Lo Low (pH 4.5-6) 0.58 7.47 -85.31 4 5 2 61 235.335 1 ↓
Lo Low (pH 4.5-6) 0.58 7.55 -82.36 4 5 2 61 235.335 1 ↓

Activity (Go SEA)

Rings

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

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