UCSF

ZINC34619783

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 22 Yes

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) 2.86 6.17 -9.89 3 5 0 77 296.326 5

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PANC-1-B Pantothenate Synthetase (cluster #1 Of 1), Bacterial Bacteria 1400 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PANC_MYCTU P0A5R0 Pantothenate Synthetase, Myctu 1400 0.37 Binding ≤ 10μM

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