UCSF

ZINC31545155

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 22 Yes

Popular Name: 1,6-Dimethyl-10-methoxyergoline-8-beta-methanol; 10-Methoxy-1,6-dimethylergoline-8beta-methanol; EINECS 252-405-9; Ergoline-8-beta-methanol, 1,6-dimethyl-10-methoxy-; LS-64443 1,6-Dimethyl-10-methoxyergoline-…

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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) 2.05 6 -34.48 2 4 1 39 301.41 2 ↓
Hi High (pH 8-9.5) 2.05 3.68 -9.09 1 4 0 38 300.402 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4123613; US5059606 IBM Patent Data

Activity (Go SEA)

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