UCSF

ZINC52516328

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 19 No

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

Find On: PubMed — Wikipedia — Google

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) -0.79 1.28 -52.82 2 6 1 68 286.425 6 ↓
Hi High (pH 8-9.5) -0.79 0.06 -18.05 1 6 0 63 285.417 6 ↓
Mid Mid (pH 6-8) -0.79 3.39 -111.77 3 6 2 69 287.433 6 ↓

Activity (Go SEA)

Rings

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

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