UCSF

ZINC59412458

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 11 Yes

Popular Name: 3,3-dimethyl-1,2-benzoxathiole 3,3-dimethyl-1,2-benzoxathiole

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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) 3.09 5.51 -6.62 0 1 0 9 166.245 0 ↓

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Rings

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

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