UCSF

ZINC52516323

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 17 No

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

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) -1.46 -0.1 -55.44 2 6 1 68 258.371 5 ↓
Hi High (pH 8-9.5) -1.46 -1.56 -18.55 1 6 0 63 257.363 5 ↓
Mid Mid (pH 6-8) -1.46 2.01 -112.46 3 6 2 69 259.379 5 ↓

Activity (Go SEA)

Rings

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

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