UCSF

ZINC03873371

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 24 No

Popular Name: Sulconazole nitrate Sulconazole nitrate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 61318-90-9 , 61318-91-0 , 61318-91-0, 61318-90-9 [s , 61318-91-0, 61318-90-9 [sulconazole] , 82382-23-8 , [82382-23-8]

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) 5.66 14.88 -35.99 1 2 1 19 398.766 6 ↓
Mid Mid (pH 6-8) 5.66 14.37 -7.76 0 2 0 18 397.758 6 ↓

Vendor Notes

Note Type Comments Provided By
Target Antifection Selleck Chemicals
Therapy antifungal SMDC Iconix
Purity JP24 APIChem
Target Others Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPC-1-B Beta-lactamase (cluster #1 Of 6), Bacterial Bacteria 16 0.45 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPC_ECOLI P00811 Beta-lactamase, Ecoli 13 0.46 Binding ≤ 1μM
AMPC_ECOLI P00811 Beta-lactamase, Ecoli 13 0.46 Binding ≤ 10μM

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