UCSF

ZINC69794573

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 16 Yes

Popular Name: N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-(2-pyridyl)ethanamine N-[(4-methyl-1,2,5-oxadiazol-3-y…

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) 1.05 2.44 -12.2 1 5 0 64 218.26 5 ↓
Mid Mid (pH 6-8) 1.05 3.78 -55.11 2 5 1 68 219.268 5 ↓
Lo Low (pH 4.5-6) 1.05 4.15 -121.04 3 5 2 70 220.276 5 ↓

Activity (Go SEA)

Rings

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

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