UCSF

ZINC33895189

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 25 Yes

Popular Name: 8-(1H-Imidazol-1-ylmethyl)-6-propylergoline (8-beta)-; Ergoline, 8-(1H-imidazol-1-ylmethyl)-6-propyl-, (8-beta)-; LS-64430 8-(1H-Imidazol-1-ylmethyl)-6-pro…

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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) 3.13 12.79 -93.01 3 4 2 39 336.483 4 ↓
Hi High (pH 8-9.5) 3.13 10.7 -10.51 1 4 0 37 334.467 4 ↓
Mid Mid (pH 6-8) 3.13 12.27 -45.34 2 4 1 38 335.475 4 ↓

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

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