UCSF

ZINC08214383

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) -5.51 -15.05 -416.75 19 13 5 256 456.561 6
Hi High (pH 8-9.5) -5.51 -16.12 -132.28 16 13 2 251 453.537 6
Hi High (pH 8-9.5) -5.51 -15.69 -108.71 16 13 2 251 453.537 6
Mid Mid (pH 6-8) -5.51 -14.82 -261.07 18 13 4 254 455.553 6
Mid Mid (pH 6-8) -5.51 -15.46 -324.81 18 13 4 254 455.553 6

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 1.522 Bitter DB
UniProt Database Links AAC2_MYCFO; AAC6_SALEN; AACC3_PSEAI; AADB1_KLEPN; AADB2_KLEPN ChEBI
therap antibacterial MicroSource World Drugs
Therapy antibiotic SMDC MicroSource
PUBCHEM_PATENT_ID EP0004925A1; EP0009670A1; EP0025495A1; EP0027258A1; EP0034347A2; EP0056992A1; EP0065123A1; EP0104125A1; EP0107941A1; EP0123948A1; EP0131369A2; EP0145240A2; EP0173186A1; EP0173990A2; EP0178624A2; EP0190833A2; EP0190833B1; EP0241050A2; EP0241050B1; EP024258 IBM Patent Data
Patent Database Links EP1754712; US2003105066; US2007248537; WO2007086884; WO2007113841 ChEBI

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

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