UCSF

ZINC31812464

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2009 28 Yes

Popular Name: N-(2-diethylaminoethyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxa N-(2-diethylaminoethyl)-3-[(2-ox…

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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) 1.33 3.26 -50.87 3 9 1 111 388.448 9 ↓
Hi High (pH 8-9.5) 1.51 -1.53 -14.3 2 9 0 113 387.44 9 ↓
Hi High (pH 8-9.5) 1.33 1.17 -14.68 2 9 0 110 387.44 9 ↓

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