UCSF

ZINC36176803

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 31 Yes

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

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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) -4.93 -10.33 -430.13 17 12 5 225 454.589 6 ↓
Hi High (pH 8-9.5) -4.93 -11.69 -107.85 14 12 2 217 451.565 6 ↓
Hi High (pH 8-9.5) -4.93 -12.35 -133.09 14 12 2 217 451.565 6 ↓
Mid Mid (pH 6-8) -4.93 -10.62 -277.67 16 12 4 223 453.581 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z100263-1-O Ribosomal RNA A-site (cluster #1 Of 1), Other Other 5530 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z100263 Z100263 Ribosomal RNA A-site 5530 0.24 Binding ≤ 10μM

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