UCSF

ZINC03849837

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 20 No

Popular Name: 10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol 10,13-dimethyl-2,3,4,5,6,7,8,9,1…

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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) 4.76 -0.56 -1.63 1 1 0 20 276.464 0 ↓

Vendor Notes

Note Type Comments Provided By
mp 146 - 149 MolMall (formerly Molecular Diversity Preservation International)
PUBCHEM_PATENT_ID EP0139554A1; EP0243449A1; EP0252490A2; EP0252490B1; EP0701444A1; EP0735992A1; EP0749977A2; EP0749977A3; EP0749977B1; EP0866722A1; US3943124; US3968132; US3989686; US4085202; US4663311; US4889801; US4917826; US5223528; US5258388; US5418244; US5610188; US56 IBM Patent Data

Activity (Go SEA)

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