UCSF

ZINC52516332

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 20 No

Popular Name: 2-methyl-N-[[1-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]triazol-4-yl]methyl]propan-2-amine 2-methyl-N-[[1-[2-(1-oxo-1,4-thi…

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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) -0.27 1.71 -51.5 2 6 1 68 300.452 6 ↓
Hi High (pH 8-9.5) -0.27 0.47 -17.97 1 6 0 63 299.444 6 ↓
Mid Mid (pH 6-8) -0.27 3.82 -110.16 3 6 2 69 301.46 6 ↓

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

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