UCSF

ZINC33906209

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 23 Yes

Popular Name: (5R,8S,10R)-8-(1-Imidazolylmethyl)-6-methylergoline; 8-alpha-(1H-Imidazol-1-ylmethyl)-6-methylergoline; BAM-2101; Ergoline, 8-(1H-imidazol-1-ylmethyl)-6-methyl-, (8-alpha)-; LS-64428 (5R,8S,10R)-8-(1-Imidazolylmethy…

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Vendors

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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) 2.25 11.37 -108.72 3 4 2 39 308.429 2 ↓
Hi High (pH 8-9.5) 2.25 8.96 -8.97 1 4 0 37 306.413 2 ↓
Mid Mid (pH 6-8) 2.25 10.85 -46.55 2 4 1 38 307.421 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4713457 IBM Patent Data

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