UCSF

ZINC05138613

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 19 Yes

Popular Name: 1-Methylagroclavine; 8,9-Didehydro-1,6,8-trimethylergoline; BRN 4491700; Ergoline, 8,9-didehydro-1,6,8-trimethyl-; LS-64409; MAGR; N-Methylagroclavine; NSC 332291 1-Methylagroclavine; 8,9-Didehyd…

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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) 3.06 10.3 -38.17 1 2 1 9 253.369 0 ↓
Mid Mid (pH 6-8) 3.06 7.94 -6.55 0 2 0 8 252.361 0 ↓

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

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