UCSF

ZINC39490490

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2010 29 Yes

Popular Name: [5-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-6-methyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[(2S)-2H-pyrro [5-(5-cyclohexyl-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) 2.39 5.86 -17.51 0 7 0 84 391.475 3 ↓
Mid Mid (pH 6-8) 2.39 6.74 -49.5 1 7 1 86 392.483 3 ↓
Lo Low (pH 4.5-6) 2.39 7.15 -102.92 2 7 2 87 393.491 3 ↓

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

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