UCSF

ZINC52425623

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 18 No

Popular Name: N-[[1-(2-thiomorpholinoethyl)triazol-4-yl]methyl]propan-2-amine N-[[1-(2-thiomorpholinoethyl)tri…

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) 0.74 6.03 -99.17 3 5 2 52 271.434 6 ↓
Mid Mid (pH 6-8) 0.74 3.95 -42.26 2 5 1 51 270.426 6 ↓

Activity (Go SEA)

Rings

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

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