UCSF

ZINC28382402

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 30 No

Popular Name: Myxopyronin B Myxopyronin B

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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) 5.16 10.67 -55.86 1 7 -1 109 416.494 12 ↓
Lo Low (pH 4.5-6) 5.16 10.1 -25.65 2 7 0 106 417.502 12 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.45e-03 g/l DrugBank-experimental

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
RPOB-1-B DNA-directed RNA Polymerase Beta Chain (cluster #1 Of 2), Bacterial Bacteria 340 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
RPOB_ECOLI P0A8V2 DNA-directed RNA Polymerase Beta Chain, Ecoli 340 0.30 Binding ≤ 1μM
RPOB_ECOLI P0A8V2 DNA-directed RNA Polymerase Beta Chain, Ecoli 340 0.30 Binding ≤ 10μM

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

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