UCSF

ZINC68959097

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2011 17 No

Popular Name: [3-(1-isoquinolyl)-1,2,4-oxadiazol-5-yl]hydrazine [3-(1-isoquinolyl)-1,2,4-oxadiaz…

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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) 1.16 1.59 -13.06 3 6 0 90 227.227 2 ↓
Mid Mid (pH 6-8) 1.16 1.4 -54.57 4 6 1 91 228.235 2 ↓
Lo Low (pH 4.5-6) 1.16 1.97 -95.47 5 6 2 93 229.243 2 ↓

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

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