UCSF

ZINC67947212

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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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 3.34 -47.81 4 5 1 77 263.365 3 ↓
Mid Mid (pH 6-8) -0.10 3.68 -102.16 5 5 2 78 264.373 3 ↓

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Rings

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

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