UCSF

ZINC23041830

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Substance Information

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

Popular Name: N-[4-[(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]thiazol-2-yl]-5,6-dihydro-1,4-dioxine-2-carboxa 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) 0.75 7.4 -22.46 2 8 0 94 365.44 6 ↓
Hi High (pH 8-9.5) 1.66 6.38 -99.45 0 8 -2 97 363.424 6 ↓
Mid Mid (pH 6-8) 0.93 6.54 -45.8 1 8 -1 100 364.432 6 ↓
Mid Mid (pH 6-8) 1.47 7.24 -55.2 1 8 -1 91 364.432 6 ↓

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Rings

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

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