UCSF

ZINC52516344

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 16 No

Popular Name: [1-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]triazol-4-yl]methanamine [1-[2-(1-oxo-1,4-thiazinan-4-yl)…

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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) -1.83 -1.97 -60.55 3 6 1 79 244.344 4 ↓
Hi High (pH 8-9.5) -1.83 -2.38 -18.84 2 6 0 77 243.336 4 ↓
Mid Mid (pH 6-8) -1.83 0.13 -117.07 4 6 2 80 245.352 4 ↓

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Rings

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

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