UCSF

ZINC14243816

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 37 No

CAS Numbers: 16391-75-6 , 6990-06-3 , 751-94-0

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 5.95 11.02 -54.17 2 6 -1 107 515.711 6

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 5.21e-03 g/l DrugBank-approved
UniProt Database Links ACRA_ECOLI; ACRZ_ECOLI; DIDH_COMTE; DIDH_PSESP; EF2_YEAST; TOLC_ECOLI; YHEH_BACSU; YHEI_BACSU ChEBI
Therapy antibacterial SMDC MicroSource
Indications Antibiotic KeyOrganics Bioactives
PUBCHEM_PATENT_ID EP0016906A1; EP0051278A1; EP0053890A1; EP0065884A1; EP0113394A1; EP0128831A2; EP0128831B1; EP0129284A2; EP0129285A2; EP0129285B1; EP0131363A1; EP0137869A2; EP0137869B1; EP0186069A2; EP0186069B1; EP0218230A2; EP0246909A2; EP0246909B1; EP0256566A1; EP025656 IBM Patent Data

Activity (Go SEA)

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