UCSF

ZINC53928957

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 16 No

Popular Name: (2R)-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cycloheptanone (2R)-2-[(1-oxo-1,4-thiazinan-4-y…

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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) 0.66 3.57 -17.43 0 3 0 37 243.372 2 ↓
Lo Low (pH 4.5-6) 0.66 5.41 -54.69 1 3 1 39 244.38 2 ↓

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

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