UCSF

ZINC33882643

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 8-(1H-Imidazol-1-ylmethyl)-6-methylergoline (8-beta)-; Ergoline, 8-(1H-imidazol-1-ylmethyl)-6-methyl-, (8-beta)-; LS-64429 8-(1H-Imidazol-1-ylmethyl)-6-met…

Find On: PubMed — Wikipedia — Google

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) 2.25 11.64 -100.31 3 4 2 39 308.429 2 ↓
Hi High (pH 8-9.5) 2.25 8.84 -10.34 1 4 0 37 306.413 2 ↓
Mid Mid (pH 6-8) 2.25 11.13 -45.62 2 4 1 38 307.421 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4713457 IBM Patent Data

Activity (Go SEA)

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