UCSF

ZINC05851952

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 22 Yes

Popular Name: 6-Ethyl-6-nor-9,10-dihydrolysergic acid methyl ester; 6-Ethylergoline-8-beta-carboxylic acid methyl ester; 6-Nor-6-ethyl-9,10-dihydrolysergic acid methyl ester; Ergoline-8-beta-carboxylic acid, 6-ethyl-, methyl ester; LS-64390 6-Ethyl-6-nor-9,10-dihydrolyserg…

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Download: MOL2 SDF SMILES Flexibase

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) 2.81 9.37 -40.9 2 4 1 47 299.394 3 ↓
Mid Mid (pH 6-8) 2.81 7.21 -8.21 1 4 0 45 298.386 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4166182; US4180582; US4202979 IBM Patent Data

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