UCSF

ZINC44379573

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2010 26 No

Popular Name: 3-methyl-N-[4-methyl-5-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)thiazol-2-yl]-4-nitro-benzamide 3-methyl-N-[4-methyl-5-(4-methyl…

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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) 2.92 8.83 -52.84 1 9 -1 119 389.442 4 ↓
Hi High (pH 8-9.5) 2.98 7.46 -87.11 0 9 -2 125 388.434 4 ↓
Lo Low (pH 4.5-6) 2.19 9.34 -22.69 2 9 0 121 390.45 4 ↓

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