UCSF

ZINC66073828

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 26 No

Popular Name: (3S)-3-amino-6-[[(Z)-N'-hydroxycarbamimidoyl]amino]-N-methyl-N-[(5R)-4-oxo-2-ureido-5,6-dihydro-1H-p (3S)-3-amino-6-[[(Z)-N'-hydroxyc…

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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) -2.54 -5.28 -84.94 10 13 0 221 371.402 8 ↓
Lo Low (pH 4.5-6) -2.72 -3.21 -77.46 11 13 1 215 372.41 9 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50212-1-O Escherichia Coli (cluster #1 Of 7), Other Other 8200 0.27 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50212 Z50212 Escherichia Coli 8200 0.27 Functional ≤ 10μM

Rings

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

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