UCSF

ZINC01788285

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 24 No

Popular Name: 5-keto-6-[[2-keto-2-[(N'E)-N'-vanillylidenehydrazino]ethyl]thio]-4H-1,2,4-triazin-3-olate 5-keto-6-[[2-keto-2-[(N'E)-N'-va…

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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) 0.38 -3.73 -43.44 3 10 -1 153 350.336 6 ↓
Mid Mid (pH 6-8) -0.08 -1.89 -19.92 4 10 0 150 351.344 6 ↓

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Rings

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