UCSF

ZINC63952444

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 28 No

Popular Name: N-[5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]-2-[(2S)-2-methyl-2H-indol-3-yl]-2-oxo-acetamide N-[5-(2-methoxyphenyl)-4H-1,2,4-…

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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) 2.24 7.58 -51.18 2 8 0 112 375.388 4 ↓
Mid Mid (pH 6-8) 2.25 8.78 -53.45 2 8 0 117 375.388 5 ↓
Lo Low (pH 4.5-6) 2.25 8.58 -126.77 1 8 -1 116 374.38 5 ↓

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

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