UCSF

ZINC00001254

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 20 Yes

Popular Name: 6-Methyl-8 alpha-1-cyanomethylergoline; 6-Methyl-8 beta-ergoline acetonitrile; 6-Methyl-8-cyanomethylergoline, D-; 6-Methylergoline-8-beta-acetonitrile; 6605 VUFB; CM 29-712; D-6-Methyl-8-cyanomethylergoline; D-6-Methylergoline-8-acetonitrile; Ergoline-8- 6-Methyl-8 alpha-1-cyanomethyler…

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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) 2.03 1.71 -45.38 2 3 1 44 266.368 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0005646A1; EP0026671A1; EP0185491A1; EP0389068A2; US3954772; US3959288; US3968111; US3968112; US3992385; US4001242; US4031097; US4054567; US4054660; US4075212; US4075213; US4082753; US4098790; US4166182; US4180582; US4202897; US4202979; US4225605; US424 IBM Patent Data

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