UCSF

ZINC04081429

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2005 22 No

Popular Name: 10,13,17-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol 10,13,17-trimethyl-1,2,3,4,7,8,9…

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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) 3.88 -2.45 -3.53 2 2 0 40 304.474 0 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0286578A1; EP0291717A1; EP0291717B1; US3962275; US3963707; US4170518; US4179336; US4190496; US4203802; US4891367; US5387583 IBM Patent Data

Activity (Go SEA)

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