UCSF

ZINC00352331

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 No

Popular Name: [5-(4-nitrophenyl)-2,4-dihydro-1H-[1,2,4]triazolo[5,1-e]triazol-3-yl]ammonium [5-(4-nitrophenyl)-2,4-dihydro-1…

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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) 1.13 3.76 -62.19 6 9 1 138 248.226 2 ↓
Mid Mid (pH 6-8) 1.13 3.36 -32.25 5 9 0 136 247.218 2 ↓

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

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