UCSF

ZINC13127502

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 25 No

Popular Name: (4E)-2-hydroxy-4-[3-(2-methoxyphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ylidene]cyclohexa (4E)-2-hydroxy-4-[3-(2-methoxyph…

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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) 2.90 5.16 -22.72 2 7 0 93 354.391 3 ↓
Hi High (pH 8-9.5) 2.90 6.08 -56.61 1 7 -1 96 353.383 3 ↓
Mid Mid (pH 6-8) 2.15 7.79 -62.47 1 7 -1 92 353.383 2 ↓

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

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