UCSF

ZINC05161585

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 21 Yes

Popular Name: (8-beta)-9,10-Didehydro-1,6-dimethyl-8-(methoxymethyl)ergoline; 1-Methyllysergol methyl ester; 1-Methyllysergol methyl ether; BRN 5967494; CCRIS 6639; Ergoline, 9,10-didehydro-1,6-dimethyl-8-(methoxymethyl)-, (8-beta)-; LS-64402 (8-beta)-9,10-Didehydro-1,6-dime…

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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) 2.61 9.61 -42.01 1 3 1 19 283.395 2 ↓
Mid Mid (pH 6-8) 2.61 7.43 -8.28 0 3 0 17 282.387 2 ↓

Activity (Go SEA)

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