UCSF

ZINC69975727

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 16 Yes

Popular Name: (4-amino-3-pyridyl)-[(1R,4S,5S)-7-oxabicyclo[2.2.1]heptan-5-yl]methanone (4-amino-3-pyridyl)-[(1R,4S,5S)-…

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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) 0.50 3.01 -39.28 3 4 1 66 219.264 2 ↓
Mid Mid (pH 6-8) 0.50 2.54 -5.72 2 4 0 65 218.256 2 ↓

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Rings

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

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