UCSF

ZINC23041887

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 33 No

Popular Name: N-[4-[(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]thiazol-2-yl]-1-(2-chlorophenyl)-6-methyl-4-oxo N-[4-[(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) 2.92 12.69 -27.47 2 9 0 111 500.009 7 ↓
Hi High (pH 8-9.5) 3.72 11.39 -122.98 0 9 -2 114 497.993 7 ↓
Mid Mid (pH 6-8) 3.65 12.53 -61.57 1 9 -1 108 499.001 7 ↓

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

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