UCSF

ZINC52425638

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 15 No

Popular Name: [1-(2-thiomorpholinoethyl)triazol-4-yl]methanamine [1-(2-thiomorpholinoethyl)triazo…

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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) -0.31 2.78 -105.46 4 5 2 63 229.353 4 ↓
Hi High (pH 8-9.5) -0.31 0.29 -8.89 2 5 0 60 227.337 4 ↓
Mid Mid (pH 6-8) -0.31 0.69 -50.09 3 5 1 62 228.345 4 ↓

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

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