UCSF

ZINC33882642

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…

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Download: MOL2 SDF SMILES Flexibase

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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 11.62 -91.48 3 4 2 39 308.429 2 ↓
Hi High (pH 8-9.5) 2.25 9.22 -10.97 1 4 0 37 306.413 2 ↓
Mid Mid (pH 6-8) 2.25 11.11 -43.25 2 4 1 38 307.421 2 ↓

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

No pre-computed analogs available. Try a structural similarity search.