UCSF

ZINC30691679

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2009 27 No

Popular Name: Loteprednol Loteprednol

Find On: PubMed — Wikipedia — Google

CAS Number: 129260-79-3

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) 2.83 6.88 -15.49 2 5 0 84 394.895 3 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.36e-02 g/l DrugBank-approved
ALOGPS_SOLUBILITY 6.93e-03 g/l DrugBank-approved
PUBCHEM_PATENT_ID EP0794783A1; EP0973501A2; EP0995435A1; EP1014943A1; US5576311; US5744155; US5795909; US5916910; US5993846; US5994372; US6093743; US6106819; WO1995005163A1; WO1996016659A1; WO1997009973A2; WO1997018805A1; WO1997042214A1; WO1997044063A2; WO1998011066A1; WO1 IBM Patent Data
Patent Database Links EP1493439; EP1520590; EP1611877; EP1767223; US2007196285; US2007196350; US2007202050; US2007202055; US2007218011; US2007256685; US2008242651; WO2006121518; WO2007095043; WO2007101005 ChEBI

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

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