UCSF

ZINC40441875

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 31 No

Popular Name: 21-Chloro-9-fluoro-11beta,16alpha,17-trihydroxypregn-4-ene-3,20-dione cyclic 16,17-acetal with acetone; Alcinonide; Ascochrom; BRN 1358242; Betacorton; C24H32ClFO5; EINECS 221-439-6; HALCINONIDE; HALOG; HALOG-E; Halciderm; Halcimat; Halcinonida [INN-Spani 21-Chloro-9-fluoro-11beta,16alph…

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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) 3.14 7.5 -14.4 1 5 0 73 454.966 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0020117A2; EP0061416A1; EP0068552A2; EP0068553A1; EP0129283A2; EP0129284A2; EP0129285A2; EP0129285B1; EP0173478A1; EP0173478B1; EP0179277A1; EP0223671A1; EP0223671B1; EP0226312A2; EP0243477A1; EP0246381A1; EP0253901A1; EP0253901B1; EP0277211A1; EP027721 IBM Patent Data

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Rings

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

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