UCSF

ZINC59514266

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2011 24 No

Popular Name: N-[1-(hydroxymethyl)-5-[2-[2-(hydroxymethyl)-5-nitramido-1,2,4-triazol-3-yl]ethyl]-1,2,4-triazol-3-y N-[1-(hydroxymethyl)-5-[2-[2-(hy…

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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) -2.24 1.61 -59.61 3 16 -1 220 343.24 9 ↓
Mid Mid (pH 6-8) -2.24 2.07 -46.6 4 16 0 221 344.248 9 ↓
Mid Mid (pH 6-8) -2.24 1.9 -72.92 3 16 -1 223 343.24 9 ↓
Mid Mid (pH 6-8) -2.24 1.45 -104.96 2 16 -2 222 342.232 9 ↓
Mid Mid (pH 6-8) -2.24 1.78 -26 4 16 0 218 344.248 9 ↓

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

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