UCSF

ZINC26297702

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 27 No

Popular Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-3-dimethylamino-benzamide N-[5-(4-allyl-5-thioxo-1H-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) 3.30 10.11 -53.7 1 7 -1 76 399.525 6 ↓
Hi High (pH 8-9.5) 3.37 9.2 -97.85 0 7 -2 82 398.517 6 ↓
Lo Low (pH 4.5-6) 2.58 10.27 -21.17 2 7 0 79 400.533 6 ↓

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