UCSF

ZINC04245704

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 25 Yes

Popular Name: 1-((5R,8S,10R)-6-Methyl-8-ergolinyl)-3,3-diethylurea hydrogen maleate; C20H24N4O.C4H4O4; Dironyl; EINECS 253-625-8; LS-159804; N,N-Diethyl-N'-((8-alpha)-6-methylergolin-8-yl)urea (Z)-2-butenedioate; N,N-Diethyl-N'-((8alpha)-6-methylergolin-8-yl)uronium hy 1-((5R,8S,10R)-6-Methyl-8-ergoli…

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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) 3.17 -0.42 -41.63 3 5 1 52 341.479 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4731367; US4847262 IBM Patent Data

Activity (Go SEA)

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