UCSF

ZINC58555428

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 36 No

Popular Name: (8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-17-[2-[4-(2-pyridyl)piperazin-1-yl]acetyl]-2,6,7,8 (8R,9S,10R,13S,14S,17R)-17-hydro…

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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) 3.20 10.5 -37.85 2 6 1 75 492.684 4 ↓
Mid Mid (pH 6-8) 3.20 10.17 -12.27 1 6 0 74 491.676 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5099019; US5175281; US5268477; US5322943; US5380839; US5380841; US5382661; US5506354; USRE35053 IBM Patent Data

Activity (Go SEA)

Rings

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

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