UCSF

ZINC67741591

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 28 Yes

Popular Name: (1R)-2-(1H-indol-3-yl)-1-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl (1R)-2-(1H-indol-3-yl)-1-[3-(3-m…

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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) 0.15 5.44 -108.86 6 7 2 112 376.464 4 ↓
Hi High (pH 8-9.5) 0.15 3.79 -10.29 4 7 0 106 374.448 4 ↓
Mid Mid (pH 6-8) 0.15 4.51 -98.24 6 7 2 109 376.464 4 ↓
Mid Mid (pH 6-8) 0.15 4.09 -54.71 5 7 1 107 375.456 4 ↓
Mid Mid (pH 6-8) 0.15 5.86 -182.57 7 7 3 113 377.472 4 ↓

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

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