UCSF

ZINC67739619

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 18 Yes

Popular Name: (1R,5S)-8-[6-(aminomethyl)-2-methyl-pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol (1R,5S)-8-[6-(aminomethyl)-2-met…

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) 0.10 2.53 -46.6 4 5 1 77 249.338 2 ↓
Hi High (pH 8-9.5) 0.10 2.13 -7.86 3 5 0 75 248.33 2 ↓
Mid Mid (pH 6-8) 0.10 2.52 -25.92 4 5 1 77 249.338 2 ↓

Activity (Go SEA)

Rings

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

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