UCSF

ZINC45694007

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 19 Yes

Popular Name: N-[[3-(1-amino-1-methyl-ethyl)-1,2,4-oxadiazol-5-yl]methyl]-N',N'-dimethyl-N-propyl-ethane-1,2-diami N-[[3-(1-amino-1-methyl-ethyl)-1…

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) 0.94 1.12 -97.5 4 6 2 74 271.409 8 ↓
Hi High (pH 8-9.5) 0.94 1.18 -91.13 4 6 2 74 271.409 8 ↓
Hi High (pH 8-9.5) 0.94 0.88 -38.97 3 6 1 73 270.401 8 ↓
Mid Mid (pH 6-8) 0.94 3.58 -190.97 5 6 3 75 272.417 8 ↓

Activity (Go SEA)

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