UCSF

ZINC39764071

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 26 Yes

Popular Name: (3R)-1-[2-(2H-indol-3-yl)-2-oxo-ethyl]-2-oxo-6-(trifluoromethyl)-3,4-dihydropyridine-3-carboxamide (3R)-1-[2-(2H-indol-3-yl)-2-oxo-…

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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) 1.17 3.99 -40.76 3 6 1 94 366.319 5 ↓
Mid Mid (pH 6-8) -3.41 5.58 -68.85 3 6 1 100 366.319 5 ↓
Mid Mid (pH 6-8) 1.01 4.74 -61.7 3 6 0 100 365.311 5 ↓

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

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