UCSF

ZINC13828172

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 23 No

Popular Name: (4R,5S,6R)-5-acetamido-4-guanidino-6-[(1R,2R)-1,2,3-trihydroxypropyl]-5,6-dihydro-4H-pyran-2-carboxy (4R,5S,6R)-5-acetamido-4-guanidi…

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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) -3.64 -4.9 -57.35 9 11 0 205 332.313 6 ↓
Lo Low (pH 4.5-6) -3.51 -7.05 -42.92 10 11 1 200 333.321 7 ↓

Activity (Go SEA)

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