UCSF

ZINC69976094

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 15 Yes

Popular Name: [4-methyl-2-[(1R,4S,5R)-7-oxabicyclo[2.2.1]heptan-5-yl]thiazol-5-yl]methanamine [4-methyl-2-[(1R,4S,5R)-7-oxabic…

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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) 0.71 2.26 -49.64 3 3 1 50 225.337 2 ↓
Mid Mid (pH 6-8) 0.71 1.86 -7.6 2 3 0 48 224.329 2 ↓

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Rings

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

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