UCSF

ZINC52380549

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 19 Yes

Popular Name: N-[[1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]ethanamine N-[[1-[2-[(2S,6S)-2,6-dimethylmo…

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) 0.63 2.86 -43.95 2 6 1 60 268.385 6 ↓
Hi High (pH 8-9.5) 0.63 1.48 -8.45 1 6 0 55 267.377 6 ↓
Mid Mid (pH 6-8) 0.63 4.81 -98.42 3 6 2 61 269.393 6 ↓

Activity (Go SEA)

Rings

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

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