UCSF

ZINC97110894

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 11th, 2014 21 Yes

Popular Name: (1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine (1S)-1-(5-methyl-1,2,4-oxadiazol…

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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) 1.93 0.64 -13.95 1 7 0 90 305.363 6 ↓
Lo Low (pH 4.5-6) 1.93 2.07 -42.71 2 7 1 94 306.371 6 ↓

Activity (Go SEA)

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

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