UCSF

ZINC69737051

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 21 Yes

Popular Name: 6-[[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methyl-amino]methyl]-N4,N4-dimethyl-1,3,5-triazine-2,4-diam 6-[[(3-ethyl-1,2,4-oxadiazol-5-y…

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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) 0.03 4.72 -12.54 2 9 0 110 292.347 6 ↓
Lo Low (pH 4.5-6) 0.03 5.16 -34.47 3 9 1 111 293.355 6 ↓
Lo Low (pH 4.5-6) 0.03 7.11 -44.39 3 9 1 111 293.355 6 ↓
Lo Low (pH 4.5-6) 0.03 5.32 -35.83 3 9 1 111 293.355 6 ↓

Activity (Go SEA)

Rings

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

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