UCSF

ZINC44018455

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 31 Yes

Popular Name: (2R,3S,4R,5R,6S)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydr (2R,3S,4R,5R,6S)-5-amino-6-[(1R,…

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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) -5.46 -19.13 -307.7 18 14 4 269 458.509 6 ↓
Hi High (pH 8-9.5) -5.46 -20.26 -47.41 15 14 1 264 455.485 6 ↓
Hi High (pH 8-9.5) -5.45 -19.97 -99.81 16 14 2 266 456.493 6 ↓
Mid Mid (pH 6-8) -5.45 -19.51 -192.97 17 14 3 267 457.501 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50212-7-O Escherichia Coli (cluster #7 Of 7), Other Other 415 0.29 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50212 Z50212 Escherichia Coli 415 0.29 Functional ≤ 10μM

Rings

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

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