UCSF

ZINC36107534

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 27 No

Popular Name: 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methyleneamino]propanamid 3-(3,5-dioxo-2H-1,2,4-triazin-6-…

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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) 0.01 -0.23 -26.96 4 13 0 195 378.301 7 ↓
Mid Mid (pH 6-8) 0.46 -1.81 -50.8 3 13 -1 198 377.293 7 ↓
Mid Mid (pH 6-8) 0.46 -0.74 -94.71 2 13 -2 201 376.285 7 ↓

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Rings

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

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