UCSF

ZINC01787588

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 2-[(3,5-diketo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(2-hydroxy-3-methoxy-benzylidene)amino]acetamide 2-[(3,5-diketo-2H-1,2,4-triazin-…

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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) -0.61 -2.68 -20.17 5 11 0 162 334.292 6 ↓
Hi High (pH 8-9.5) -0.16 -3.41 -104.36 3 11 -2 167 332.276 6 ↓
Mid Mid (pH 6-8) -0.16 -4.34 -48.71 4 11 -1 165 333.284 6 ↓
Mid Mid (pH 6-8) -0.16 -2.32 -56.57 4 11 -1 169 333.284 6 ↓

Activity (Go SEA)

Rings

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

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